 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer04_STD_M11_def2SVPD.in
 Output=21_phenylethanol_conformer04_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-32534.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32556.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer04_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:43:58 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer04_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.290197000000      0.748875000000     -0.891176000000
  C                                                -1.648974000000     -0.346953000000     -0.234259000000
  H                                                -1.847181000000      0.897780000000     -1.734096000000
  H                                                -1.837741000000     -1.270698000000     -0.796269000000
  C                                                -2.300915000000     -0.468453000000      1.135040000000
  C                                                -0.150678000000     -0.155244000000     -0.135613000000
  H                                                -3.376843000000     -0.608909000000      1.025779000000
  H                                                -2.123257000000      0.438110000000      1.715196000000
  H                                                -1.885133000000     -1.316357000000      1.680026000000
  C                                                 0.387808000000      1.095483000000      0.166105000000
  C                                                 1.761013000000      1.260318000000      0.290370000000
  C                                                 2.614804000000      0.175587000000      0.119503000000
  C                                                 2.086637000000     -1.073581000000     -0.182153000000
  C                                                 0.711910000000     -1.234195000000     -0.311415000000
  H                                                -0.277717000000      1.939381000000      0.293556000000
  H                                                 2.166838000000      2.236806000000      0.522706000000
  H                                                 3.685054000000      0.305030000000      0.215836000000
  H                                                 2.744500000000     -1.921576000000     -0.323868000000
  H                                                 0.303419000000     -2.208340000000     -0.554934000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.429526   0.000000
     3  H    0.963821   1.959122   0.000000
     4  H    2.071811   1.097631   2.362606   0.000000
     5  C    2.363801   1.521437   3.210048   2.141981   0.000000
     6  C    2.442509   1.513729   2.557759   2.127648   2.517177
     7  H    2.588261   2.154495   3.496697   2.475209   1.090544
     8  H    2.630137   2.154447   3.490721   3.051065   1.090871
     9  H    3.322701   2.158704   4.069407   2.477169   1.090333
    10  C    2.899947   2.527725   2.940243   3.387926   3.257908
    11  C    4.250874   3.806122   4.153187   4.531871   4.494594
    12  C    5.040751   4.310220   4.885356   4.770276   5.060672
    13  C    4.793823   3.805981   4.665803   3.977026   4.620800
    14  C    3.644357   2.523277   3.621917   2.595599   3.428660
    15  H    2.621254   2.717767   2.767584   3.731756   3.255624
    16  H    4.906950   4.670035   4.795675   5.484426   5.258726
    17  H    6.093119   5.392543   5.895694   5.831684   6.105329
    18  H    5.727244   4.667985   5.569654   4.652283   5.449421
    19  H    3.947787   2.716511   3.957712   2.349890   3.558901
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.458726   0.000000
     8  H    2.769229   1.772857   0.000000
     9  H    2.766417   1.775872   1.770902   0.000000
    10  C    1.394747   4.220970   3.022792   3.643513   0.000000
    11  C    2.416576   5.516557   4.218259   4.675979   1.388634
    12  C    2.796860   6.110369   5.006434   4.991048   2.409957
    13  C    2.418902   5.614680   4.858842   4.393360   2.777074
    14  C    1.392516   4.347065   3.865479   3.273717   2.400097
    15  H    2.141910   4.078543   2.771442   3.886633   1.082281
    16  H    3.395021   6.251686   4.802318   5.512062   2.143532
    17  H    3.879202   7.166706   6.000189   5.983288   3.391035
    18  H    3.396678   6.404333   5.781086   5.080884   3.859626
    19  H    2.144117   4.312906   4.248052   3.252759   3.382642
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.390969   0.000000
    13  C    2.403413   1.389380   0.000000
    14  C    2.772248   2.407111   1.390101   0.000000
    15  H    2.148850   3.392336   3.859328   3.378896   0.000000
    16  H    1.082683   2.147526   3.385546   3.854922   2.473221
    17  H    2.149433   1.082345   2.147999   3.389217   4.287272
    18  H    3.386589   2.147438   1.082572   2.145710   4.941862
    19  H    3.856256   3.388285   2.146278   1.084032   4.273318
                   16         17         18         19
    16  H    0.000000
    17  H    2.476067   0.000000
    18  H    4.282817   2.476630   0.000000
    19  H    4.938923   4.283290   2.468704   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4873523           1.1087927           0.9832918
 Leave Link  202 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.6499884117 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.28D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer04_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:44:01 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.568284732166    
 DIIS: error= 5.25D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.568284732166     IErMin= 1 ErrMin= 5.25D-03
 ErrMax= 5.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-02 BMatP= 1.40D-02
 IDIUse=3 WtCom= 9.48D-01 WtEn= 5.25D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 GapD=    0.405 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.35D-02 MaxDP=3.69D-01              OVMax= 1.99D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.11D-02    CP:  1.24D+00
 E= -385.583435253981     Delta-E=       -0.015150521815 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.583435253981     IErMin= 2 ErrMin= 1.07D-03
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-04 BMatP= 1.40D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.07D-02
 Coeff-Com: -0.359D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.355D-01 0.104D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=2.95D-03 MaxDP=8.97D-02 DE=-1.52D-02 OVMax= 8.29D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.32D-03    CP:  1.31D+00  1.13D+00
 E= -385.583948197860     Delta-E=       -0.000512943879 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.583948197860     IErMin= 3 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-04 BMatP= 6.31D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com: -0.668D-01 0.511D+00 0.555D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.661D-01 0.506D+00 0.560D+00
 Gap=     0.392 Goal=   None    Shift=    0.000
 RMSDP=3.43D-04 MaxDP=1.18D-02 DE=-5.13D-04 OVMax= 4.24D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.70D-04    CP:  1.31D+00  1.15D+00  1.07D+00
 E= -385.584301206537     Delta-E=       -0.000353008678 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.584301206537     IErMin= 4 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-06 BMatP= 5.19D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com: -0.467D-02-0.325D-01 0.659D-01 0.971D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.466D-02-0.325D-01 0.658D-01 0.971D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=4.94D-03 DE=-3.53D-04 OVMax= 1.04D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.31D+00  1.15D+00  1.10D+00  1.12D+00
 E= -385.584313356804     Delta-E=       -0.000012150267 Rises=F Damp=F
 DIIS: error= 3.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.584313356804     IErMin= 5 ErrMin= 3.14D-05
 ErrMax= 3.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.08D-07 BMatP= 8.87D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.312D-02-0.384D-01-0.247D-01 0.232D+00 0.828D+00
 Coeff:      0.312D-02-0.384D-01-0.247D-01 0.232D+00 0.828D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=2.99D-05 MaxDP=8.00D-04 DE=-1.22D-05 OVMax= 3.57D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.00D-05    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.07D+00
 E= -385.584314569734     Delta-E=       -0.000001212930 Rises=F Damp=F
 DIIS: error= 1.35D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.584314569734     IErMin= 6 ErrMin= 1.35D-05
 ErrMax= 1.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-07 BMatP= 9.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-02-0.109D-01-0.151D-01-0.558D-03 0.298D+00 0.727D+00
 Coeff:      0.143D-02-0.109D-01-0.151D-01-0.558D-03 0.298D+00 0.727D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.03D-05 MaxDP=2.18D-04 DE=-1.21D-06 OVMax= 1.41D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.65D-06    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.13D+00
                    CP:  9.66D-01
 E= -385.584314770823     Delta-E=       -0.000000201089 Rises=F Damp=F
 DIIS: error= 4.42D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.584314770823     IErMin= 7 ErrMin= 4.42D-06
 ErrMax= 4.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-08 BMatP= 1.49D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.214D-05 0.200D-02-0.945D-03-0.306D-01-0.396D-01 0.168D+00
 Coeff-Com:  0.901D+00
 Coeff:      0.214D-05 0.200D-02-0.945D-03-0.306D-01-0.396D-01 0.168D+00
 Coeff:      0.901D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.79D-06 MaxDP=7.78D-05 DE=-2.01D-07 OVMax= 6.69D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.21D-06    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.15D+00
                    CP:  1.05D+00  1.07D+00
 E= -385.584314795225     Delta-E=       -0.000000024402 Rises=F Damp=F
 DIIS: error= 1.92D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.584314795225     IErMin= 8 ErrMin= 1.92D-06
 ErrMax= 1.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-09 BMatP= 1.35D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.176D-03 0.216D-02 0.157D-02-0.114D-01-0.510D-01-0.283D-01
 Coeff-Com:  0.315D+00 0.772D+00
 Coeff:     -0.176D-03 0.216D-02 0.157D-02-0.114D-01-0.510D-01-0.283D-01
 Coeff:      0.315D+00 0.772D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=3.90D-05 DE=-2.44D-08 OVMax= 1.98D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.92D-07    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.15D+00
                    CP:  1.06D+00  1.14D+00  1.09D+00
 E= -385.584314798088     Delta-E=       -0.000000002863 Rises=F Damp=F
 DIIS: error= 2.59D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.584314798088     IErMin= 9 ErrMin= 2.59D-07
 ErrMax= 2.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-11 BMatP= 2.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.231D-04 0.152D-03 0.264D-03 0.531D-03-0.377D-02-0.146D-01
 Coeff-Com: -0.196D-01 0.101D+00 0.936D+00
 Coeff:     -0.231D-04 0.152D-03 0.264D-03 0.531D-03-0.377D-02-0.146D-01
 Coeff:     -0.196D-01 0.101D+00 0.936D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=5.75D-07 MaxDP=1.52D-05 DE=-2.86D-09 OVMax= 5.50D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.28D-07    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.15D+00
                    CP:  1.06D+00  1.16D+00  1.16D+00  1.12D+00
 E= -385.584314798191     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 1.25D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.584314798191     IErMin=10 ErrMin= 1.25D-07
 ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-11 BMatP= 6.88D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.790D-05-0.147D-03-0.552D-04 0.122D-02 0.339D-02-0.277D-02
 Coeff-Com: -0.350D-01-0.370D-01 0.324D+00 0.747D+00
 Coeff:      0.790D-05-0.147D-03-0.552D-04 0.122D-02 0.339D-02-0.277D-02
 Coeff:     -0.350D-01-0.370D-01 0.324D+00 0.747D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.22D-07 MaxDP=3.06D-06 DE=-1.02D-10 OVMax= 1.59D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.42D-08    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.15D+00
                    CP:  1.06D+00  1.16D+00  1.17D+00  1.15D+00  1.06D+00
 E= -385.584314798214     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 3.14D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.584314798214     IErMin=11 ErrMin= 3.14D-08
 ErrMax= 3.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-13 BMatP= 1.33D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.355D-05-0.425D-04-0.341D-04 0.214D-03 0.103D-02 0.474D-03
 Coeff-Com: -0.517D-02-0.171D-01-0.202D-01 0.158D+00 0.883D+00
 Coeff:      0.355D-05-0.425D-04-0.341D-04 0.214D-03 0.103D-02 0.474D-03
 Coeff:     -0.517D-02-0.171D-01-0.202D-01 0.158D+00 0.883D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.62D-08 MaxDP=1.19D-06 DE=-2.32D-11 OVMax= 5.11D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.45D-08    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.15D+00
                    CP:  1.06D+00  1.16D+00  1.18D+00  1.16D+00  1.12D+00
                    CP:  1.15D+00
 E= -385.584314798237     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 1.26D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.584314798237     IErMin=12 ErrMin= 1.26D-08
 ErrMax= 1.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-13 BMatP= 8.67D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-06 0.325D-05-0.404D-05-0.622D-04-0.646D-04 0.385D-03
 Coeff-Com:  0.232D-02-0.925D-03-0.401D-01-0.317D-01 0.244D+00 0.826D+00
 Coeff:      0.158D-06 0.325D-05-0.404D-05-0.622D-04-0.646D-04 0.385D-03
 Coeff:      0.232D-02-0.925D-03-0.401D-01-0.317D-01 0.244D+00 0.826D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.22D-08 MaxDP=4.19D-07 DE=-2.34D-11 OVMax= 2.76D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.12D-09    CP:  1.31D+00  1.15D+00  1.11D+00  1.16D+00  1.15D+00
                    CP:  1.06D+00  1.16D+00  1.18D+00  1.16D+00  1.13D+00
                    CP:  1.23D+00  1.12D+00
 E= -385.584314798230     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 6.29D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -385.584314798237     IErMin=13 ErrMin= 6.29D-09
 ErrMax= 6.29D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-14 BMatP= 1.13D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.380D-06 0.637D-05 0.302D-05-0.481D-04-0.158D-03 0.555D-04
 Coeff-Com:  0.151D-02 0.197D-02-0.113D-01-0.308D-01-0.337D-01 0.291D+00
 Coeff-Com:  0.782D+00
 Coeff:     -0.380D-06 0.637D-05 0.302D-05-0.481D-04-0.158D-03 0.555D-04
 Coeff:      0.151D-02 0.197D-02-0.113D-01-0.308D-01-0.337D-01 0.291D+00
 Coeff:      0.782D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=5.93D-09 MaxDP=1.60D-07 DE= 7.62D-12 OVMax= 9.23D-08

 SCF Done:  E(RM11) =  -385.584314798     A.U. after   13 cycles
            NFock= 13  Conv=0.59D-08     -V/T= 2.0119
 KE= 3.810382356344D+02 PE=-1.745707191604D+03 EE= 5.534346527593D+02
 Leave Link  502 at Thu Aug 12 21:45:29 2021, MaxMem=  5368709120 cpu:             701.4 elap:              88.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.80931828D+02

 Leave Link  801 at Thu Aug 12 21:45:29 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 4.32D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.77D-01 7.96D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 2.69D-02 6.27D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.27D-03 1.42D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 1.46D-04 3.30D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 7.21D-06 6.50D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 3.18D-07 1.63D-04.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 1.01D-08 2.14D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.94D-10 3.72D-06.
     10 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 4.48D-12 4.77D-07.
      7 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 1.04D-13 5.78D-08.
      2 vectors produced by pass 11 Test12= 1.26D-13 8.33D-09 XBig12= 8.77D-15 9.28D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.125803D+03
      2  0.823309D+00  0.102448D+03
      3  0.617271D+00  0.518544D+01  0.723694D+02
 Isotropic polarizability for W=    0.085645      100.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.943085D+02  0.433206D+01  0.500864D+01
      2  -0.323980D+02 -0.116189D+02 -0.150683D+02
      3  -0.619106D+02  0.728686D+01  0.100597D+02
      4  -0.137777D+02  0.807362D+02  0.289444D+02
      5   0.316282D+02  0.300303D+02 -0.193007D+02
      6   0.118057D+02  0.101935D+02 -0.695784D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.122543D+01  0.621908D+01  0.450613D+01
      2   0.154861D+01  0.125460D+02 -0.616750D+01
      3  -0.758272D+01 -0.403973D+02 -0.122241D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.108581D+01  0.252618D+02  0.142447D+02
      2  -0.266196D+02  0.171387D+02  0.426099D+02
      3  -0.181098D+02 -0.113134D+03 -0.182245D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.432376D+00 -0.211165D+01  0.286008D+00
      2  -0.211165D+01 -0.244010D+01  0.282566D+01
      3   0.286008D+00  0.282566D+01  0.110414D+01
 OR G Eigenvalues:    -4.7731     0.8998     2.9697  Iso=     0.3012
 Eigenvectors:
   (1)   0.361086   0.833459  -0.418286
   (2)   0.859128  -0.122885   0.496787
   (3)  -0.362651   0.538744   0.760421
 w=    0.085645 a.u., Optical Rotation Beta=      0.3012 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =      116.93 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 6.95D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.20D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 4.31D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 4.61D-02 4.80D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 2.21D-03 7.35D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 2.69D-05 7.61D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 3.21D-07 8.15D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 3.88D-09 7.04D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 4.57D-11 7.24D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 4.64D-13 6.00D-08.
     14 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 4.33D-15 5.45D-09.
      2 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 6.33D-16 3.36D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.72D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.72D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.47D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125803D+03  0.823309D+00  0.617271D+00
      2   0.823309D+00  0.102448D+03  0.518544D+01
      3   0.617271D+00  0.518544D+01  0.723694D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122543D+01  0.621908D+01  0.450613D+01
      2   0.154861D+01  0.125460D+02 -0.616750D+01
      3  -0.758272D+01 -0.403973D+02 -0.122241D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.943085D+02  0.433206D+01  0.500864D+01
      2  -0.323980D+02 -0.116189D+02 -0.150683D+02
      3  -0.619106D+02  0.728686D+01  0.100597D+02
      4  -0.137777D+02  0.807362D+02  0.289444D+02
      5   0.316282D+02  0.300303D+02 -0.193007D+02
      6   0.118057D+02  0.101935D+02 -0.695784D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.594880D+01  0.214289D+01 -0.115487D+01  0.352687D+01 -0.229481D+01
      2   0.214289D+01 -0.118194D+01  0.175930D+01 -0.229481D+01  0.145744D+01
      3  -0.115487D+01  0.175930D+01 -0.339791D+01  0.133298D+01 -0.152558D+01
                 6             7             8             9            10 
      1   0.133298D+01  0.570764D+00  0.878047D+00 -0.268869D+01  0.451408D+01
      2  -0.152558D+01  0.878047D+00  0.979991D+00 -0.416096D+00  0.172410D+00
      3   0.732311D-01 -0.268869D+01 -0.416096D+00  0.318194D+01 -0.119948D+01
                11            12            13            14            15 
      1   0.172410D+00 -0.119948D+01  0.892593D-01  0.276664D+01 -0.134446D+01
      2   0.673331D+00 -0.118309D+01  0.276664D+01  0.395755D+01  0.379653D+01
      3  -0.118309D+01  0.210172D+01 -0.134446D+01  0.379653D+01  0.110174D+01
                16            17            18            19            20 
      1  -0.446619D+01 -0.127365D+01  0.478846D+01  0.980687D+00  0.745683D-01
      2  -0.127365D+01  0.238938D+01  0.178002D+01  0.745683D-01  0.500554D+00
      3   0.478846D+01  0.178002D+01 -0.150286D+01 -0.572242D+00 -0.920439D+00
                21            22            23            24            25 
      1  -0.572242D+00  0.110151D+00 -0.185909D+00 -0.142038D+00 -0.145963D+01
      2  -0.920439D+00 -0.185909D+00  0.115793D+01 -0.106735D+01 -0.568147D-02
      3   0.233304D+01 -0.142038D+00 -0.106735D+01  0.126794D+01  0.239653D+00
                26            27            28            29            30 
      1  -0.568147D-02  0.239653D+00 -0.551560D+00 -0.149370D+01 -0.658916D+00
      2  -0.162388D+01  0.193753D+01 -0.149370D+01 -0.100172D+01 -0.363164D+00
      3   0.193753D+01 -0.661242D+01 -0.658916D+00 -0.363164D+00 -0.905861D+00
                31            32            33            34            35 
      1  -0.287436D+01 -0.200426D+01 -0.588038D+00 -0.652523D+00 -0.604400D+00
      2  -0.200426D+01 -0.584614D+01 -0.228621D+01 -0.604400D+00 -0.226201D+01
      3  -0.588038D+00 -0.228621D+01 -0.230207D+01 -0.136056D+01 -0.204139D+01
                36            37            38            39            40 
      1  -0.136056D+01  0.888661D+01  0.160812D+01  0.384245D+00  0.144708D+01
      2  -0.204139D+01  0.160812D+01 -0.178209D+01  0.938419D+00 -0.161219D+01
      3  -0.229180D+01  0.384245D+00  0.938419D+00 -0.272523D+01  0.108655D+01
                41            42            43            44            45 
      1  -0.161219D+01  0.108655D+01  0.552420D+01  0.142107D+01 -0.404710D+01
      2  -0.312932D+00 -0.428663D+01  0.142107D+01 -0.335621D+01 -0.107773D+01
      3  -0.428663D+01 -0.608278D+00 -0.404710D+01 -0.107773D+01  0.111875D+01
                46            47            48            49            50 
      1  -0.164771D+02 -0.177458D+01  0.126844D+00 -0.346037D+01  0.133706D+01
      2  -0.177458D+01 -0.256007D+01  0.193269D+00  0.133706D+01 -0.433172D+00
      3   0.126844D+00  0.193269D+00 -0.212430D+01  0.105659D+01 -0.273981D+00
                51            52            53            54            55 
      1   0.105659D+01 -0.917174D+00  0.104152D+01 -0.387610D+01 -0.139646D+02
      2  -0.273981D+00  0.104152D+01 -0.521213D+00 -0.520031D+00 -0.168777D+01
      3  -0.173657D+00 -0.387610D+01 -0.520031D+00 -0.563555D+00  0.142866D+01
                56            57            58            59            60 
      1  -0.168777D+01  0.142866D+01 -0.153939D+01 -0.154917D+01  0.135400D+00
      2  -0.115460D+01  0.183222D+00 -0.154917D+01 -0.579866D+00  0.580124D+00
      3   0.183222D+00 -0.147114D+01  0.135400D+00  0.580124D+00 -0.225182D+00
                61            62            63            64            65 
      1  -0.123463D+01 -0.236253D+00 -0.843429D+00 -0.562788D+00  0.712858D+00
      2  -0.236253D+00  0.106331D+00 -0.103758D+00  0.712858D+00  0.412847D+00
      3  -0.843429D+00 -0.103758D+00 -0.202769D+00  0.363054D+00  0.213107D-01
                66            67            68            69            70 
      1   0.363054D+00  0.184481D+01 -0.803949D-01 -0.782926D+00  0.678436D+00
      2   0.213107D-01 -0.803949D-01  0.374322D+01  0.243568D+01 -0.320717D+00
      3   0.819709D+00 -0.782926D+00  0.243568D+01  0.301666D+01 -0.112423D+00
                71            72            73            74            75 
      1  -0.320717D+00 -0.112423D+00  0.110933D+00 -0.102794D+01  0.546425D+00
      2   0.205136D+01  0.175033D+01 -0.102794D+01  0.119788D+01 -0.757794D+00
      3   0.175033D+01  0.332802D+01  0.546425D+00 -0.757794D+00  0.144778D+01
                76            77            78            79            80 
      1  -0.154963D+01  0.307370D+00 -0.286371D-01  0.316956D+00 -0.184744D+00
      2   0.307370D+00 -0.422591D+01  0.273042D+01 -0.184744D+00  0.214062D+01
      3  -0.286371D-01  0.273042D+01 -0.250869D+01  0.402518D+00 -0.188561D+01
                81            82            83            84            85 
      1   0.402518D+00  0.364746D+01 -0.786933D+00  0.163328D+00  0.767769D+01
      2  -0.188561D+01 -0.786933D+00 -0.287133D+01 -0.490884D+00  0.238547D-01
      3   0.303277D+01  0.163328D+00 -0.490884D+00 -0.158768D+01  0.369625D+00
                86            87            88            89            90 
      1   0.238547D-01  0.369625D+00  0.238984D+01 -0.589136D-01 -0.173319D+01
      2   0.146146D+01 -0.805912D+00 -0.589136D-01 -0.150669D+01  0.299283D+01
      3  -0.805912D+00  0.179040D+01 -0.173319D+01  0.299283D+01  0.100209D+01
                91            92            93            94            95 
      1  -0.372808D+01 -0.380150D+00 -0.139337D+00  0.466980D+01  0.125519D-01
      2  -0.380150D+00  0.200138D+01 -0.390877D+00  0.125519D-01  0.985737D+00
      3  -0.139337D+00 -0.390877D+00  0.841200D+00 -0.337059D+00 -0.973714D+00
                96            97            98            99           100 
      1  -0.337059D+00  0.450213D+00 -0.775203D+00  0.176905D+01  0.485630D+01
      2  -0.973714D+00 -0.775203D+00 -0.129334D+01  0.332212D+01  0.244823D+00
      3   0.167040D+01  0.176905D+01  0.332212D+01  0.231899D+01 -0.494628D+00
               101           102           103           104           105 
      1   0.244823D+00 -0.494628D+00  0.727271D+00 -0.668559D-01 -0.101253D+01
      2   0.312656D+01  0.122163D+00 -0.668559D-01  0.271587D+00 -0.516586D+00
      3   0.122163D+00  0.247489D+01 -0.101253D+01 -0.516586D+00  0.144901D+00
               106           107           108           109           110 
      1  -0.857261D-01 -0.109426D+01  0.501136D+01 -0.220831D+01 -0.670415D+00
      2  -0.109426D+01  0.617783D-01  0.447458D+00 -0.670415D+00  0.224744D+01
      3   0.501136D+01  0.447458D+00  0.840515D+00 -0.428510D+00  0.695102D+00
               111           112           113           114           115 
      1  -0.428510D+00 -0.499842D+01 -0.957038D+00 -0.976700D+00 -0.147061D+01
      2   0.695102D+00 -0.957038D+00 -0.909768D+00  0.110098D+01 -0.658292D+00
      3   0.157139D+01 -0.976700D+00  0.110098D+01 -0.160479D+01  0.261407D+01
               116           117           118           119           120 
      1  -0.658292D+00  0.261407D+01  0.503887D+01  0.228792D+01  0.792451D+00
      2   0.160336D+01 -0.282687D+01  0.228792D+01 -0.198826D+01 -0.120445D+00
      3  -0.282687D+01 -0.112017D+01  0.792451D+00 -0.120445D+00 -0.738017D+00
               121           122           123           124           125 
      1  -0.623612D+01 -0.497909D+00  0.186828D+00 -0.449982D+00  0.947706D+00
      2  -0.497909D+00 -0.152020D+01  0.112916D+01  0.947706D+00  0.123574D+01
      3   0.186828D+00  0.112916D+01 -0.172615D+01 -0.792759D+00 -0.328769D+01
               126           127           128           129           130 
      1  -0.792759D+00 -0.333669D+01  0.230931D+01  0.302407D+00  0.235925D+01
      2  -0.328769D+01  0.230931D+01 -0.271137D+01 -0.234344D+00 -0.283253D+01
      3  -0.267392D+01  0.302407D+00 -0.234344D+00 -0.532493D+00 -0.466698D+00
               131           132           133           134           135 
      1  -0.283253D+01 -0.466698D+00  0.306433D+00 -0.434274D+00 -0.765490D-01
      2   0.590948D+01  0.791448D+00 -0.434274D+00  0.106893D+01  0.276088D+00
      3   0.791448D+00  0.893938D+00 -0.765490D-01  0.276088D+00  0.227264D+00
               136           137           138           139           140 
      1   0.230043D+01  0.263184D+01  0.650981D+00  0.225607D+01  0.366505D+01
      2   0.263184D+01  0.279075D+01  0.639388D+00  0.366505D+01  0.927597D+01
      3   0.650981D+00  0.639388D+00  0.535237D+00  0.810019D+00  0.188699D+01
               141           142           143           144           145 
      1   0.810019D+00  0.651463D+00  0.969710D+00  0.307647D+00  0.132182D+02
      2   0.188699D+01  0.969710D+00  0.214237D+01  0.651518D+00  0.124849D+01
      3   0.135366D+01  0.307647D+00  0.651518D+00  0.441068D+00  0.961537D+00
               146           147           148           149           150 
      1   0.124849D+01  0.961537D+00  0.109348D+01  0.166675D+01  0.398661D+00
      2   0.916682D+00  0.501067D-01  0.166675D+01  0.472352D+00  0.150043D+00
      3   0.501067D-01  0.110163D+01  0.398661D+00  0.150043D+00  0.160860D+00
               151           152           153           154           155 
      1   0.100837D+01  0.399361D+00  0.247611D+00  0.489153D+01 -0.380873D+01
      2   0.399361D+00  0.117059D+00  0.412845D-01 -0.380873D+01  0.351225D+01
      3   0.247611D+00  0.412845D-01  0.147589D+00 -0.585482D+00  0.416008D+00
               156           157           158           159           160 
      1  -0.585482D+00 -0.362345D+01  0.433626D+01  0.786881D+00 -0.597009D+00
      2   0.416008D+00  0.433626D+01 -0.658011D+01 -0.100771D+01  0.691164D+00
      3   0.682784D+00  0.786881D+00 -0.100771D+01 -0.994621D+00  0.278093D+00
               161           162           163           164           165 
      1   0.691164D+00  0.278093D+00 -0.166705D+01 -0.180300D+01 -0.486470D+00
      2  -0.126236D+01 -0.384953D+00 -0.180300D+01 -0.212828D+01 -0.557247D+00
      3  -0.384953D+00 -0.243823D+00 -0.486470D+00 -0.557247D+00 -0.426746D+00
               166           167           168           169           170 
      1  -0.151998D+01 -0.203447D+01 -0.484446D+00 -0.563201D+00 -0.702179D+00
      2  -0.203447D+01 -0.828462D+01 -0.185771D+01 -0.702179D+00 -0.207122D+01
      3  -0.484446D+00 -0.185771D+01 -0.133028D+01 -0.127666D+00 -0.655050D+00
               171 
      1  -0.127666D+00
      2  -0.655050D+00
      3  -0.427676D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.832016D-01  0.266064D+01  0.233914D+01  0.408266D+00 -0.324162D+01
      2  -0.389703D+01 -0.349421D+01  0.128582D+02 -0.135954D+00  0.103427D+01
      3   0.359056D+01 -0.955095D+01  0.529676D+01 -0.270857D+01  0.565117D+01
                 6             7             8             9            10 
      1  -0.275072D+01 -0.953846D+00  0.416765D+01 -0.450415D+01 -0.110497D+01
      2   0.545442D+00  0.485229D+01  0.326072D+01 -0.967880D+01  0.373871D+01
      3  -0.301115D+01  0.249206D+01  0.747691D+00 -0.330482D+01 -0.189506D+01
                11            12            13            14            15 
      1  -0.458727D+00  0.577538D-01  0.154888D+01  0.318256D+01 -0.653464D+00
      2   0.173191D+01 -0.236365D+01  0.568390D+00 -0.749842D+01 -0.217658D+01
      3   0.857498D+00 -0.563612D+00  0.124061D+02  0.520339D+01  0.905508D+01
                16            17            18            19            20 
      1   0.361746D+01  0.324679D+01 -0.118639D+01  0.473054D-01 -0.480257D+00
      2  -0.158492D+02 -0.468501D+01  0.263706D+01  0.496031D+01  0.200198D+01
      3   0.579771D+00  0.898449D+01  0.101837D+01  0.194458D+01  0.199168D+01
                21            22            23            24            25 
      1  -0.181769D+01 -0.220077D+00 -0.126785D+00 -0.112940D+01 -0.776879D+00
      2  -0.606065D+01  0.330323D+00  0.224913D+01 -0.343738D+01 -0.457351D+01
      3  -0.286064D+01  0.163517D+01  0.234621D+01 -0.231293D+01 -0.112817D+01
                26            27            28            29            30 
      1   0.853277D+00  0.405965D+01 -0.341657D+00 -0.151056D+00 -0.907376D+00
      2  -0.513760D+01  0.158066D+02  0.105292D+01  0.234601D+00  0.231139D+01
      3  -0.337480D+01  0.711595D+01 -0.369413D+01 -0.221947D+01 -0.381636D+00
                31            32            33            34            35 
      1  -0.373715D+00  0.765629D+00 -0.332617D+01 -0.779371D+00  0.414522D+00
      2  -0.357845D+00  0.403668D+01  0.440538D+01  0.708541D+00  0.297356D+01
      3   0.109635D+01 -0.116263D+02 -0.466095D+01  0.107235D+00 -0.447128D+01
                36            37            38            39            40 
      1  -0.205184D+01  0.289412D+01 -0.342555D+01 -0.597997D+00 -0.295808D-01
      2   0.392129D+01 -0.129363D+02 -0.449350D+01  0.105781D+02 -0.369669D+01
      3  -0.313808D+01  0.115722D+01 -0.958756D+01  0.153058D+01 -0.224767D+01
                41            42            43            44            45 
      1  -0.231767D+01 -0.101387D+02 -0.185361D+01 -0.467143D+01  0.687555D-01
      2   0.139103D+02  0.618612D+00  0.611774D+01  0.212382D+01  0.126765D+01
      3  -0.711174D-01 -0.142109D+02 -0.361941D+00 -0.130103D+02 -0.408370D-02
                46            47            48            49            50 
      1  -0.663061D+00  0.790840D-01  0.159253D+00 -0.120344D+01 -0.333127D+01
      2  -0.409482D+01 -0.778768D+00 -0.102720D+01 -0.110803D+01  0.902299D+00
      3   0.820991D+00  0.540604D+01  0.561972D+00  0.157938D+02  0.125714D+01
                51            52            53            54            55 
      1   0.130987D+01 -0.493714D+00  0.917793D+01  0.199068D+01 -0.988437D+00
      2   0.221220D+00 -0.135415D+02  0.202248D+00 -0.234028D+00  0.108251D+02
      3  -0.152987D+01  0.133136D+00 -0.171891D+00  0.446870D+00  0.278999D+01
                56            57            58            59            60 
      1  -0.176374D+01 -0.107296D+01 -0.167402D+01 -0.172019D+00 -0.176331D+00
      2   0.133176D+01  0.578501D+01  0.143439D+01 -0.305760D+00  0.866437D+00
      3  -0.536251D+01 -0.228132D+00 -0.224035D+01 -0.902776D+00  0.160448D+01
                61            62            63            64            65 
      1  -0.586478D+00  0.983850D+00 -0.312065D+00  0.160667D+01  0.137648D+01
      2   0.160382D+01  0.214243D+00  0.150839D+01 -0.149590D+01 -0.119624D+01
      3  -0.168279D+00  0.126650D+01  0.303662D+00  0.264087D+01  0.119508D+01
                66            67            68            69            70 
      1   0.227740D+00  0.549000D+00  0.797356D+01  0.310070D+01 -0.978578D-01
      2  -0.204658D+01 -0.163136D+01 -0.719452D+01 -0.712503D+01 -0.222261D+01
      3   0.139099D+00  0.222657D+01  0.110048D+02  0.690003D+01 -0.333743D+00
                71            72            73            74            75 
      1   0.554323D+01  0.368232D+01 -0.146276D+01  0.213044D+01  0.469755D+00
      2  -0.456481D+01 -0.796101D+01 -0.316145D+01  0.298027D+01 -0.328404D+01
      3   0.588646D+01  0.480290D+01 -0.407285D+01  0.368273D+01 -0.205205D+01
                76            77            78            79            80 
      1   0.112395D+01 -0.483386D+01  0.541853D+00  0.305274D+00  0.342773D+01
      2   0.304647D+01 -0.792895D+01  0.625101D+01 -0.326151D+01  0.508243D+01
      3   0.439440D+01 -0.107859D+02  0.706699D+01 -0.880887D+00  0.556681D+01
                81            82            83            84            85 
      1  -0.423034D+00 -0.187337D-01 -0.601446D-01  0.249557D+01 -0.803370D+00
      2  -0.769998D+01  0.174728D+01  0.597500D+00 -0.132831D+01  0.341783D+01
      3  -0.532882D+01  0.712531D+00 -0.651699D+00  0.353043D+00  0.302696D+01
                86            87            88            89            90 
      1   0.261437D+00 -0.246868D+01  0.649197D+01  0.368808D+01  0.944082D+00
      2   0.272348D+00  0.125634D+01 -0.119122D+02  0.305799D+00 -0.331855D+00
      3  -0.595517D+01  0.100456D+01 -0.150687D+01 -0.177417D+00 -0.557462D+01
                91            92            93            94            95 
      1   0.307350D-01  0.953178D+00 -0.195795D+01  0.125549D+01 -0.100138D+00
      2  -0.510337D+00  0.227268D+01  0.113641D+01  0.111063D+01 -0.273552D+01
      3   0.180102D+01 -0.123675D+02 -0.204263D+01  0.365853D+01 -0.594998D+00
                96            97            98            99           100 
      1  -0.239170D+01 -0.450907D+01  0.972372D+00 -0.122737D+01  0.282954D+00
      2   0.394261D+01 -0.746629D+01  0.779930D+01  0.427662D+01  0.174390D+00
      3   0.175913D+01  0.494236D-01  0.297277D+01 -0.411349D+01 -0.201807D+01
               101           102           103           104           105 
      1  -0.603471D+00 -0.793186D+00 -0.105309D+01 -0.248185D+01  0.106071D+01
      2  -0.295465D+00  0.644209D+01 -0.423583D+01  0.178045D+00  0.904953D+00
      3  -0.633397D+01  0.755161D-01  0.107631D+02 -0.175365D+01  0.100027D+01
               106           107           108           109           110 
      1  -0.198801D+01  0.105482D+02  0.268996D+01 -0.300494D+00 -0.462388D+00
      2   0.629605D+01  0.219516D+01  0.155562D+01 -0.992269D+00  0.149495D+01
      3   0.316594D+01  0.341461D+00 -0.729603D+00  0.359504D+01 -0.948768D+01
               111           112           113           114           115 
      1   0.236467D+01 -0.121392D+01 -0.118185D+00 -0.157818D+01  0.611563D+01
      2   0.270171D+01 -0.954960D+00  0.277218D+01 -0.458656D+01 -0.350823D+01
      3  -0.156065D+01  0.726110D+01  0.134013D+01 -0.177353D+01  0.414121D+00
               116           117           118           119           120 
      1   0.351075D+01  0.993369D+00  0.467479D-01  0.103911D+01 -0.164191D+01
      2  -0.903666D+01 -0.302574D+01  0.338126D+01  0.185313D+01 -0.803357D+00
      3  -0.276381D+01  0.402847D+01 -0.543883D+01 -0.440684D+01 -0.220439D+01
               121           122           123           124           125 
      1   0.102240D+01  0.838518D+00 -0.254164D+01 -0.466340D+01  0.162683D+01
      2   0.137881D+01 -0.320188D+00 -0.136948D+01 -0.130047D+02 -0.121425D+01
      3   0.361898D+01  0.571350D+01 -0.155597D+00 -0.216627D+01 -0.161145D+01
               126           127           128           129           130 
      1  -0.451351D+00 -0.989901D-01 -0.777768D+00  0.230166D+01  0.998463D-01
      2  -0.287101D+01  0.160777D+01 -0.789080D+00  0.564534D+00 -0.621028D+00
      3   0.465714D+01 -0.870704D+01  0.367393D+01  0.544708D+00  0.621601D+01
               131           132           133           134           135 
      1  -0.897397D-01 -0.305060D+01 -0.832575D-01  0.171696D+01 -0.140472D+00
      2   0.110062D+01 -0.103042D+01 -0.180800D+01  0.502296D+00 -0.230552D+00
      3  -0.517379D+01 -0.111633D+01  0.115448D+00 -0.898856D+00 -0.246090D+00
               136           137           138           139           140 
      1  -0.179377D+00  0.356852D-01 -0.168725D+01 -0.176875D+00  0.467169D+00
      2   0.256206D+00  0.461906D+00  0.157788D+01  0.472223D+00  0.265361D+01
      3  -0.686693D+00 -0.214584D+01 -0.326619D+00 -0.127048D+01 -0.132662D+02
               141           142           143           144           145 
      1  -0.429703D+01  0.565038D+00  0.183168D+01 -0.681597D+00 -0.997022D-01
      2   0.337845D+01 -0.433796D+00  0.238873D+00  0.897664D+00  0.119296D+01
      3  -0.245065D+01 -0.534445D+00 -0.312834D+01 -0.767084D+00 -0.723697D+00
               146           147           148           149           150 
      1   0.354131D+00 -0.588983D+00  0.235967D-01 -0.265357D-01 -0.375232D+00
      2  -0.753585D-01  0.633393D+01  0.154323D+01  0.378037D+00  0.885807D+00
      3  -0.526561D+01  0.124062D+00 -0.387281D+01 -0.131920D+01 -0.398662D+00
               151           152           153           154           155 
      1   0.370357D+00  0.649107D+00  0.436965D-01  0.191061D+00 -0.624939D+00
      2  -0.235967D+01 -0.123326D+00  0.364352D+00  0.426742D-01 -0.110160D+00
      3  -0.105755D+01 -0.700654D+00 -0.718138D-01  0.148047D+01 -0.451693D+01
               156           157           158           159           160 
      1   0.220992D+01  0.294926D+00  0.148242D+00 -0.328251D+01 -0.741740D+00
      2   0.280150D+01  0.839830D+00 -0.141676D+01 -0.354476D+01 -0.633489D+00
      3  -0.158235D+00 -0.336868D+01  0.108450D+02  0.131169D+01 -0.104827D+01
               161           162           163           164           165 
      1   0.139102D+01 -0.304078D+00  0.753886D-01  0.179309D+00 -0.156015D+01
      2   0.180448D+00 -0.439201D+00 -0.158264D+01 -0.113716D+01  0.661247D-02
      3   0.228088D+01  0.450404D+00  0.628523D+01  0.387175D+01  0.116512D+01
               166           167           168           169           170 
      1   0.112924D+00  0.611812D+00 -0.403636D+01  0.479375D+00  0.213927D+01
      2  -0.140043D+01 -0.208745D+01 -0.605395D-02 -0.192265D+01 -0.733039D+00
      3   0.653049D+01  0.850358D+01  0.222736D+01  0.212929D+01  0.226172D+01
               171 
      1  -0.602447D+00
      2  -0.721735D-01
      3   0.454749D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270325D+02 -0.222374D+01 -0.235163D+01 -0.813499D+01  0.249235D+01
      2  -0.146819D+02 -0.717115D+00 -0.585679D+01  0.339519D+01  0.727390D+01
      3  -0.123506D+02  0.294085D+01  0.820842D+01  0.473980D+01 -0.976625D+01
      4  -0.147259D+02  0.155027D+02 -0.684472D+01  0.194303D+02 -0.123309D+02
      5   0.119700D+02 -0.811992D+01  0.224537D+02 -0.105384D+02  0.960168D+01
      6  -0.435053D+01  0.429338D+01 -0.667061D+01  0.694677D+01 -0.412943D+01
                 6             7             8             9            10 
      1  -0.467950D+01 -0.213052D+01 -0.247623D+01  0.165631D+02  0.593819D+01
      2   0.224173D+01 -0.286487D+01 -0.197483D+01 -0.539905D+01 -0.676574D+00
      3   0.243777D+01  0.499539D+01  0.445106D+01 -0.111640D+02 -0.526162D+01
      4   0.922879D+01 -0.539882D+01  0.586644D+00 -0.208614D+01  0.360495D+01
      5  -0.470253D+01  0.195825D+02 -0.661420D+00 -0.378442D+01  0.552276D+01
      6   0.652052D+01 -0.398665D+01  0.253908D+01  0.357176D+01  0.210941D+01
                11            12            13            14            15 
      1   0.187323D+01 -0.122298D+01  0.905613D+01  0.162979D+01  0.658496D+01
      2  -0.697938D-02 -0.234600D+01 -0.697394D+01 -0.790320D+01 -0.109525D+02
      3  -0.186625D+01  0.356898D+01 -0.208219D+01  0.627341D+01  0.436757D+01
      4  -0.953461D+01  0.447906D+01 -0.164773D+02 -0.151898D+02 -0.182742D+02
      5   0.464201D+01 -0.152735D+02  0.103816D+02 -0.172905D+02 -0.206123D+01
      6  -0.909416D+00 -0.365295D+00 -0.629169D+01 -0.895000D+01 -0.721916D+01
                16            17            18            19            20 
      1   0.569548D+01  0.580788D+01 -0.597241D+01 -0.354597D+01 -0.330009D+01
      2  -0.968668D+01 -0.528196D+01  0.733419D+01  0.513296D+00  0.445150D+00
      3   0.399120D+01 -0.525920D+00 -0.136178D+01  0.303267D+01  0.285494D+01
      4   0.978453D+01 -0.137013D+02 -0.786373D+01  0.340120D+00 -0.221536D+01
      5  -0.289507D+02 -0.761633D+01  0.551819D+01  0.134465D+01  0.197353D+01
      6  -0.553185D+01 -0.736191D+01  0.113416D+01 -0.816765D+00 -0.244164D+01
                21            22            23            24            25 
      1   0.100401D+02 -0.132613D+01 -0.446853D+01  0.419861D+01  0.682301D+01
      2   0.324516D+00  0.481332D-01  0.200566D+01 -0.982425D+00 -0.243609D+01
      3  -0.103646D+02  0.127800D+01  0.246287D+01 -0.321618D+01 -0.438692D+01
      4   0.117119D+01  0.193768D+01 -0.384690D+01  0.315065D+01 -0.209668D+01
      5  -0.552092D+01 -0.445162D+00  0.300323D+01 -0.463741D+01  0.290132D+01
      6   0.440455D+01 -0.103394D+00 -0.362265D+01  0.648241D+01  0.100057D+01
                26            27            28            29            30 
      1   0.573732D+01 -0.193555D+02  0.257789D+01  0.331435D+01  0.245622D+01
      2   0.355550D+00 -0.607776D+01  0.912993D+00 -0.484144D+00 -0.537178D+00
      3  -0.609287D+01  0.254332D+02 -0.349088D+01 -0.283021D+01 -0.191904D+01
      4   0.427729D+01 -0.567421D+01  0.868260D+01  0.962770D+01  0.337791D+01
      5  -0.695135D+01  0.213532D+02  0.437088D+01  0.337697D+01  0.689310D+01
      6   0.624542D+01 -0.113080D+02  0.421310D+01  0.190869D+01  0.155518D+01
                31            32            33            34            35 
      1   0.187395D+01 -0.924723D+01 -0.484188D+01  0.724342D+00 -0.485869D+01
      2   0.202544D+01  0.165774D+02  0.542242D+01  0.455470D+00  0.381206D+01
      3  -0.389938D+01 -0.733014D+01 -0.580538D+00 -0.117981D+01  0.104662D+01
      4   0.128709D+02  0.261014D+02  0.101084D+02  0.443984D+01  0.999745D+01
      5   0.414034D+01  0.992629D+01  0.100615D+02  0.881315D+01  0.863162D+01
      6   0.386971D+01  0.138091D+02  0.959051D+01  0.390541D+01  0.105874D+02
                36            37            38            39            40 
      1  -0.447367D+01 -0.567742D+02 -0.136487D+02  0.759864D+01 -0.126641D+02
      2   0.790840D+00  0.241439D+02  0.791344D+01  0.539497D+00  0.690201D+01
      3   0.368283D+01  0.326303D+02  0.573523D+01 -0.813814D+01  0.576205D+01
      4   0.902290D+01 -0.171151D+02  0.829593D+01 -0.288554D+01  0.679885D+01
      5   0.957098D+01  0.106635D+02 -0.404057D+00  0.126949D+02 -0.195095D+01
      6   0.905546D+01  0.336881D+01 -0.730029D+01  0.395040D+01 -0.321511D+01
                41            42            43            44            45 
      1   0.191023D+02 -0.471025D+01 -0.444311D+01 -0.633168D+01  0.140072D+02
      2  -0.427741D+01  0.919969D+01  0.109658D+02  0.918339D+01 -0.128814D+02
      3  -0.148249D+02 -0.448945D+01 -0.652270D+01 -0.285172D+01 -0.112580D+01
      4   0.487565D+01  0.186946D+02 -0.746237D+01  0.158113D+02  0.768898D+01
      5   0.138864D+02  0.522853D+01  0.240310D+02  0.742001D+01 -0.110584D+02
      6   0.242985D+01 -0.135966D+02  0.665498D+01 -0.102690D+02 -0.275153D+01
                46            47            48            49            50 
      1  -0.173492D+02 -0.209927D+01 -0.267850D+01  0.523863D+01 -0.113029D+02
      2   0.392804D+01  0.101424D+01 -0.542414D+00 -0.632997D+01  0.155873D+02
      3   0.134212D+02  0.108504D+01  0.322091D+01  0.109135D+01 -0.428445D+01
      4   0.255382D+01  0.401027D+01 -0.847872D+00 -0.125987D+02 -0.238456D+01
      5  -0.675991D+01 -0.137004D+01  0.232442D+01 -0.408878D+01  0.774238D+00
      6  -0.330868D+01  0.879030D+00  0.829161D+00 -0.383905D+01  0.571736D+01
                51            52            53            54            55 
      1  -0.125341D+01 -0.603571D+01 -0.232144D+01 -0.879535D+01  0.876104D+02
      2   0.641370D+01 -0.627001D+00  0.447667D+01 -0.386382D+01 -0.439242D+02
      3  -0.516029D+01  0.666271D+01 -0.215523D+01  0.126592D+02 -0.436862D+02
      4   0.590462D+00 -0.496844D+01  0.152271D+01  0.104949D+01  0.207683D+02
      5   0.550734D+00  0.452089D+01  0.100330D+01 -0.734068D+00 -0.270404D+02
      6  -0.198887D+01  0.528881D+00  0.528394D+01 -0.255856D+01 -0.388598D+01
                56            57            58            59            60 
      1   0.893145D+01 -0.467190D+01  0.742716D+01  0.651661D+01  0.452284D+00
      2  -0.287202D+01  0.581397D+01 -0.168749D+01 -0.247597D+01 -0.400808D+00
      3  -0.605942D+01 -0.114207D+01 -0.573967D+01 -0.404063D+01 -0.514763D-01
      4   0.124238D+02 -0.181479D+01  0.145519D+02  0.518976D+01 -0.287017D+01
      5  -0.321799D+01  0.134817D+02 -0.257622D+01 -0.410296D+01  0.153490D+01
      6  -0.288006D+01  0.208254D+01 -0.277722D+01 -0.139772D+01  0.310445D+01
                61            62            63            64            65 
      1   0.599276D+01  0.130491D+01  0.595685D+01  0.406668D+01 -0.276037D+01
      2  -0.489373D+00 -0.503567D+00 -0.357672D+01 -0.272845D+01  0.134867D+01
      3  -0.550338D+01 -0.801339D+00 -0.238012D+01 -0.133823D+01  0.141170D+01
      4   0.188654D+01 -0.551535D+00  0.157110D+01 -0.198415D+01 -0.337750D+00
      5   0.878250D+01  0.729385D+00 -0.567459D+00 -0.237782D+01  0.210919D+01
      6   0.125207D+01  0.211705D+01  0.292856D-01  0.249374D+01  0.177447D+01
                66            67            68            69            70 
      1  -0.500142D+01 -0.601216D+01 -0.885078D+01 -0.533258D+01 -0.308091D+01
      2   0.526588D+00  0.433129D+01  0.172501D+01 -0.523537D+01  0.233614D+01
      3   0.447483D+01  0.168087D+01  0.712577D+01  0.105679D+02  0.744773D+00
      4   0.523836D+00  0.253638D+01 -0.186598D+02 -0.118704D+02  0.190948D+01
      5  -0.311198D+00  0.762716D+01 -0.980254D+01 -0.135632D+02  0.409153D+01
      6  -0.743358D-01 -0.305469D+00  0.133821D+02  0.105776D+02 -0.957484D+00
                71            72            73            74            75 
      1  -0.433332D+01 -0.104029D+02 -0.120508D+01  0.884964D+01 -0.756548D+01
      2  -0.424353D+01 -0.564169D+01  0.129342D+01 -0.562034D+01  0.138366D+01
      3   0.857685D+01  0.160446D+02 -0.883473D-01 -0.322930D+01  0.618182D+01
      4  -0.100302D+02 -0.881150D+01  0.237974D+01 -0.195226D+01  0.913156D+00
      5  -0.746970D+01 -0.131344D+02  0.163992D+00 -0.897845D+00 -0.191676D+01
      6   0.979322D+01  0.819752D+01 -0.401045D+01  0.547373D+01 -0.463616D+01
                76            77            78            79            80 
      1   0.827378D+01 -0.182532D+02  0.116851D+02 -0.310750D+01  0.976071D+01
      2  -0.485868D+01  0.145148D+02 -0.431593D+01  0.517914D+00 -0.269588D+01
      3  -0.341511D+01  0.373837D+01 -0.736918D+01  0.258958D+01 -0.706483D+01
      4   0.292596D+01  0.158334D+02 -0.107998D+02 -0.723158D+00 -0.847984D+01
      5  -0.453954D+01 -0.793975D+01  0.812292D+01  0.189414D+01  0.575137D+01
      6   0.115501D+01 -0.177819D+02  0.148661D+02 -0.120631D+01  0.129062D+02
                81            82            83            84            85 
      1  -0.150110D+02 -0.113211D+01  0.165889D+02  0.420472D+01 -0.553773D+01
      2   0.985788D+00  0.134203D+00 -0.123913D+02 -0.267264D+00  0.141795D+02
      3   0.140252D+02  0.997909D+00 -0.419754D+01 -0.393746D+01 -0.864176D+01
      4   0.642111D+01  0.126015D+02 -0.101453D+02 -0.216667D+00  0.449631D+01
      5  -0.905238D+01  0.315194D+01 -0.694104D+00 -0.244373D+01  0.266400D+01
      6  -0.124376D+02  0.238772D+01 -0.165232D+01 -0.467989D+01  0.794129D+01
                86            87            88            89            90 
      1   0.346261D+01  0.466207D+01 -0.169857D+01  0.635678D+01 -0.134707D+02
      2  -0.620281D+01 -0.309923D+01  0.657512D+01 -0.797714D+01  0.177412D+01
      3   0.274020D+01 -0.156284D+01 -0.487655D+01  0.162036D+01  0.116966D+02
      4   0.144292D+02  0.260406D+01  0.311176D+01  0.134904D+01  0.327146D+01
      5   0.267154D+01  0.140708D+00  0.305482D+01  0.182208D+01 -0.118286D+01
      6  -0.548522D+01  0.503198D+01 -0.381337D+01  0.113840D+02 -0.122050D+01
                91            92            93            94            95 
      1   0.100284D+02 -0.215353D+02 -0.257598D+01  0.194711D+02  0.123629D+02
      2  -0.100452D+02  0.147899D+02  0.733157D+00 -0.168911D+02 -0.161078D+02
      3   0.168216D-01  0.674541D+01  0.184282D+01 -0.258003D+01  0.374489D+01
      4  -0.158443D+02 -0.688599D+01 -0.378186D+01  0.984225D+01 -0.459547D+01
      5  -0.519152D+01 -0.248529D+01 -0.555998D+00  0.215691D-01 -0.632629D+01
      6  -0.466155D+01 -0.118904D+01  0.360974D+01 -0.438973D+01 -0.101605D+02
                96            97            98            99           100 
      1   0.354224D+01  0.386474D+01  0.691932D+00 -0.497305D+01 -0.153131D+02
      2  -0.575328D+01 -0.680850D+01 -0.827224D+01 -0.507396D+01  0.103875D+02
      3   0.221105D+01  0.294376D+01  0.758031D+01  0.100470D+02  0.492560D+01
      4  -0.570961D+01 -0.358380D+01 -0.962077D+01  0.121076D+02 -0.269468D+01
      5   0.801874D+01  0.113023D+02  0.128558D+02  0.841407D+01 -0.427487D+01
      6   0.355745D+01  0.549008D+01  0.128392D+02  0.327145D+01  0.114181D+01
               101           102           103           104           105 
      1  -0.335849D+01 -0.482310D+01  0.967737D+01 -0.219570D+02 -0.729232D+01
      2   0.247182D+01  0.226797D+01 -0.813781D+01  0.191358D+02  0.865710D+01
      3   0.886668D+00  0.255513D+01 -0.153957D+01  0.282118D+01 -0.136478D+01
      4   0.208142D+02  0.776964D+00 -0.184021D+02 -0.386954D+01 -0.344280D+01
      5   0.472960D+00  0.143604D+02 -0.113971D+02 -0.126475D+01  0.120213D+01
      6   0.468742D+00  0.176900D+01 -0.311520D+01  0.357236D+01 -0.172667D+01
               106           107           108           109           110 
      1  -0.348772D+01 -0.837183D+01  0.122907D+02 -0.194386D+01  0.233847D+02
      2  -0.501247D+00  0.630937D+01 -0.154588D+02 -0.206179D+01 -0.152170D+02
      3   0.398896D+01  0.206247D+01  0.316812D+01  0.400565D+01 -0.816767D+01
      4  -0.118829D+02 -0.122784D+01  0.215567D+01  0.172758D+02  0.198628D+01
      5   0.327528D+02  0.315219D+01  0.426723D+01  0.545695D+00  0.342713D+00
      6   0.150908D+01  0.499835D+01 -0.401482D+01  0.731679D+00 -0.202351D+01
               111           112           113           114           115 
      1   0.499663D+01 -0.250123D+02  0.528255D+01  0.752081D+00 -0.739152D+01
      2  -0.757540D+00  0.233870D+02 -0.890563D+01 -0.114592D+01  0.932830D+01
      3  -0.423909D+01  0.162528D+01  0.362307D+01  0.393835D+00 -0.193678D+01
      4   0.181486D+01  0.145932D+01  0.108537D+02  0.829177D+01 -0.178538D+01
      5   0.559880D+01 -0.480661D+01  0.697012D+01 -0.882035D+01  0.176634D+02
      6  -0.544390D+01  0.661380D+01 -0.576135D+01  0.330190D+01 -0.624590D+01
               116           117           118           119           120 
      1   0.431088D+01  0.217683D+01  0.119527D+02 -0.118906D+02 -0.458594D+00
      2  -0.741654D+01 -0.833009D+01 -0.797304D+01  0.973359D+01  0.299360D+00
      3   0.310566D+01  0.615326D+01 -0.397968D+01  0.215702D+01  0.159235D+00
      4   0.883949D+01 -0.130205D+02 -0.898274D+01 -0.172399D+02 -0.299368D+01
      5  -0.136060D+02 -0.694085D+01  0.245960D+00 -0.193531D+01 -0.448509D+01
      6   0.109064D+02 -0.778190D+00 -0.203591D+01 -0.954393D+00  0.341025D+01
               121           122           123           124           125 
      1  -0.537724D+00  0.103409D+02  0.499819D+01  0.224115D+01  0.394531D+01
      2  -0.822897D+01 -0.136672D+02 -0.725665D+01 -0.445874D+01 -0.102380D+02
      3   0.876670D+01  0.332637D+01  0.225846D+01  0.221760D+01  0.629274D+01
      4   0.112807D+02 -0.125758D+02 -0.142824D+01 -0.472236D+00 -0.281589D+01
      5  -0.554887D+00 -0.197150D+01 -0.114609D+01  0.356707D+01 -0.505381D+01
      6  -0.474414D+01 -0.101131D+02  0.334443D+01  0.154879D+01  0.128012D+02
               126           127           128           129           130 
      1  -0.145279D+02 -0.505756D+01  0.741246D+01  0.708626D+00  0.801365D+01
      2  -0.127420D+00  0.693280D+01 -0.104802D+02 -0.632149D+00 -0.110413D+02
      3   0.146553D+02 -0.187524D+01  0.306773D+01 -0.764764D-01  0.302761D+01
      4  -0.658859D+01 -0.869402D+01  0.855996D+01  0.102533D+01  0.820863D+01
      5  -0.440223D+01 -0.123496D+01  0.986821D+00  0.176417D+01  0.106132D+01
      6   0.364666D+01  0.876445D+00 -0.116189D+01 -0.265080D+01 -0.222593D+01
               131           132           133           134           135 
      1  -0.203529D+02 -0.328405D+01  0.138332D+01 -0.363350D+01 -0.105130D+01
      2   0.275501D+02  0.259367D+01 -0.175301D+01  0.405078D+01  0.175118D+01
      3  -0.719713D+01  0.690372D+00  0.369694D+00 -0.417277D+00 -0.699886D+00
      4  -0.877556D+01 -0.861860D+00  0.120264D+01 -0.997303D+00 -0.204320D+01
      5  -0.120467D+01 -0.123846D+01  0.110738D+01 -0.795065D+00 -0.897592D+00
      6   0.425903D+01  0.522036D+01 -0.108422D+01  0.254365D+01  0.155415D+01
               136           137           138           139           140 
      1   0.552163D+01  0.487760D+01  0.966424D+00 -0.881949D+00 -0.155607D+02
      2   0.315404D+01  0.480218D+01  0.223844D+00  0.109025D+02  0.368488D+02
      3  -0.867567D+01 -0.967978D+01 -0.119027D+01 -0.100205D+02 -0.212881D+02
      4   0.185510D+02  0.227573D+02  0.481041D+01  0.234384D+02  0.458354D+02
      5   0.430099D+01  0.484759D+01  0.457688D+01  0.500635D+01  0.890874D+01
      6   0.318553D+01  0.368386D+01  0.301746D+01  0.493763D+01  0.121854D+02
               141           142           143           144           145 
      1  -0.340806D+01  0.979916D-01 -0.299186D+01 -0.219636D+01  0.993242D+02
      2   0.496064D+01  0.183018D+01  0.662790D+01  0.322068D+01 -0.560564D+02
      3  -0.155259D+01 -0.192817D+01 -0.363605D+01 -0.102432D+01 -0.432677D+02
      4   0.896372D+01  0.574717D+01  0.107553D+02  0.444078D+01  0.129557D+02
      5   0.650671D+01  0.233975D+01  0.372443D+01  0.274428D+01  0.973087D+01
      6   0.903349D+01  0.248100D+01  0.573881D+01  0.375652D+01 -0.192391D+01
               146           147           148           149           150 
      1   0.872511D+01  0.609411D+01  0.678673D+01  0.966759D+01  0.156606D+01
      2  -0.430854D+01 -0.422654D+01 -0.291353D+01 -0.439356D+01 -0.124466D+01
      3  -0.441657D+01 -0.186756D+01 -0.387320D+01 -0.527403D+01 -0.321401D+00
      4   0.961546D+01  0.459297D+00  0.155000D+02  0.418915D+01  0.132549D+01
      5   0.495756D+00  0.112154D+02  0.319534D+01  0.150687D+01  0.142526D+01
      6   0.260880D+00  0.596501D+00  0.820242D+00 -0.316308D-01  0.146469D+01
               151           152           153           154           155 
      1   0.716066D+01  0.183001D+01  0.462171D+01  0.214269D+02 -0.134563D+02
      2  -0.414512D+01 -0.999957D+00 -0.290453D+01 -0.376402D+01 -0.113323D+01
      3  -0.301554D+01 -0.830051D+00 -0.171718D+01 -0.176629D+02  0.145896D+02
      4   0.355034D+01  0.141144D+01  0.878392D+00 -0.325581D+02  0.298669D+02
      5   0.472670D+01  0.553829D+00  0.168966D+01 -0.547795D+01  0.380664D+01
      6   0.213899D+00  0.705994D+00  0.298653D+00  0.203336D+01 -0.165227D+01
               156           157           158           159           160 
      1  -0.236902D+01 -0.868714D+01  0.294450D+01  0.707007D+00 -0.817511D+00
      2   0.945323D+00 -0.636217D+01  0.170757D+02  0.728742D+00 -0.102510D+01
      3   0.142370D+01  0.150493D+02 -0.200202D+02 -0.143575D+01  0.184261D+01
      4   0.380953D+01  0.328011D+02 -0.435921D+02 -0.644389D+01  0.535357D+01
      5   0.609485D+01  0.581201D+01 -0.669449D+01 -0.634387D+01  0.284704D+01
      6  -0.332731D+01 -0.357091D+01  0.500954D+01  0.601620D+01 -0.224737D+01
               161           162           163           164           165 
      1   0.466111D-01 -0.122369D-01 -0.542181D+01 -0.858676D+01 -0.252385D+01
      2   0.236781D+01  0.129881D+01  0.664309D+01  0.101630D+02  0.169649D+01
      3  -0.241442D+01 -0.128657D+01 -0.122127D+01 -0.157629D+01  0.827359D+00
      4  -0.699623D+01 -0.397613D+01  0.370879D+01  0.729906D+01  0.140904D+01
      5  -0.323838D+01 -0.178821D+01  0.963535D+00  0.125581D+01  0.141820D+01
      6   0.340196D+01  0.202803D+01  0.245218D+01  0.342206D+01  0.262351D+01
               166           167           168           169           170 
      1  -0.757317D+01 -0.321078D+02 -0.780354D+01 -0.220189D+01 -0.793075D+01
      2   0.935155D+01  0.422370D+02  0.708303D+01  0.237529D+01  0.896319D+01
      3  -0.177838D+01 -0.101292D+02  0.720514D+00 -0.173399D+00 -0.103244D+01
      4   0.520216D+01 -0.663807D+00 -0.639618D+00  0.138797D+01 -0.129785D+00
      5   0.987976D+00 -0.651662D+00 -0.279026D+00  0.774767D+00  0.571356D+00
      6   0.291066D+01  0.122543D+02  0.878867D+01  0.131170D+01  0.528734D+01
               171 
      1  -0.362035D+01
      2   0.393344D+01
      3  -0.313088D+00
      4   0.145655D+01
      5   0.602561D+00
      6   0.371103D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:00:52 2021, MaxMem=  5368709120 cpu:            7365.9 elap:             923.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46447 -10.49670 -10.45189 -10.44835 -10.44761
 Alpha  occ. eigenvalues --  -10.44744 -10.44644 -10.44481 -10.42814  -1.15073
 Alpha  occ. eigenvalues --   -1.00095  -0.91432  -0.88141  -0.85903  -0.75848
 Alpha  occ. eigenvalues --   -0.73429  -0.70464  -0.65655  -0.62946  -0.59051
 Alpha  occ. eigenvalues --   -0.56200  -0.55296  -0.53779  -0.53557  -0.49789
 Alpha  occ. eigenvalues --   -0.49227  -0.48389  -0.47271  -0.45145  -0.43356
 Alpha  occ. eigenvalues --   -0.39932  -0.35628  -0.34702
 Alpha virt. eigenvalues --    0.04433   0.05671   0.05822   0.06340   0.06644
 Alpha virt. eigenvalues --    0.07843   0.08905   0.09142   0.10393   0.12638
 Alpha virt. eigenvalues --    0.12913   0.14780   0.16216   0.17911   0.18244
 Alpha virt. eigenvalues --    0.18675   0.20061   0.20377   0.21006   0.21466
 Alpha virt. eigenvalues --    0.22461   0.22873   0.23835   0.24648   0.25245
 Alpha virt. eigenvalues --    0.26317   0.27529   0.27906   0.29021   0.29551
 Alpha virt. eigenvalues --    0.30220   0.30548   0.31591   0.31967   0.32822
 Alpha virt. eigenvalues --    0.33468   0.34120   0.34652   0.35295   0.35963
 Alpha virt. eigenvalues --    0.36425   0.37373   0.38039   0.38763   0.39261
 Alpha virt. eigenvalues --    0.39388   0.39843   0.40657   0.40714   0.41565
 Alpha virt. eigenvalues --    0.41824   0.42435   0.43540   0.44087   0.44350
 Alpha virt. eigenvalues --    0.44916   0.45134   0.45915   0.46523   0.46728
 Alpha virt. eigenvalues --    0.46893   0.47360   0.48083   0.48360   0.49201
 Alpha virt. eigenvalues --    0.49724   0.50158   0.50681   0.51736   0.52914
 Alpha virt. eigenvalues --    0.53285   0.53668   0.54659   0.55546   0.56418
 Alpha virt. eigenvalues --    0.56587   0.57875   0.58899   0.59809   0.60535
 Alpha virt. eigenvalues --    0.61527   0.62396   0.63227   0.63989   0.64039
 Alpha virt. eigenvalues --    0.64649   0.67336   0.67909   0.68418   0.68788
 Alpha virt. eigenvalues --    0.69588   0.70019   0.71516   0.73046   0.73474
 Alpha virt. eigenvalues --    0.75110   0.75649   0.76771   0.77821   0.79246
 Alpha virt. eigenvalues --    0.80895   0.81670   0.82422   0.84103   0.85130
 Alpha virt. eigenvalues --    0.85886   0.87018   0.88442   0.90240   0.95968
 Alpha virt. eigenvalues --    0.97560   1.00742   1.02213   1.02807   1.04290
 Alpha virt. eigenvalues --    1.05106   1.05859   1.06187   1.06889   1.07731
 Alpha virt. eigenvalues --    1.09671   1.10135   1.10669   1.11856   1.13872
 Alpha virt. eigenvalues --    1.16108   1.16870   1.18508   1.18790   1.19901
 Alpha virt. eigenvalues --    1.20645   1.22970   1.23476   1.25544   1.25986
 Alpha virt. eigenvalues --    1.28880   1.29205   1.29864   1.33133   1.34321
 Alpha virt. eigenvalues --    1.37234   1.39303   1.40958   1.42683   1.44051
 Alpha virt. eigenvalues --    1.45649   1.46448   1.54948   1.59992   1.60297
 Alpha virt. eigenvalues --    1.64514   1.65939   1.66985   1.68778   1.69604
 Alpha virt. eigenvalues --    1.71182   1.73445   1.75891   1.78268   1.80906
 Alpha virt. eigenvalues --    1.82552   1.83423   1.86138   1.87699   1.90772
 Alpha virt. eigenvalues --    1.91256   1.93910   1.94570   1.96421   1.97439
 Alpha virt. eigenvalues --    1.98830   2.00752   2.01538   2.05204   2.07005
 Alpha virt. eigenvalues --    2.08815   2.10534   2.10646   2.12157   2.13429
 Alpha virt. eigenvalues --    2.13851   2.15218   2.17835   2.18238   2.22586
 Alpha virt. eigenvalues --    2.24793   2.26513   2.28375   2.31492   2.32948
 Alpha virt. eigenvalues --    2.34512   2.38701   2.39359   2.42548   2.45170
 Alpha virt. eigenvalues --    2.47423   2.47511   2.49605   2.50531   2.53107
 Alpha virt. eigenvalues --    2.53912   2.55988   2.58922   2.60474   2.63383
 Alpha virt. eigenvalues --    2.66515   2.73335   2.74291   2.78324   2.84406
 Alpha virt. eigenvalues --    2.91524   2.92597   2.94450   2.95085   3.00971
 Alpha virt. eigenvalues --    3.05437   3.09017   3.10913   3.15078   3.16816
 Alpha virt. eigenvalues --    3.18173   3.21106   3.22643   3.29059   3.30653
 Alpha virt. eigenvalues --    3.32178   3.41571   3.62307   3.78562   4.00877
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.046157   0.137249   0.176873  -0.000982  -0.086330  -0.108690
     2  C    0.137249   6.085175   0.172996   0.124249   0.484927   0.145730
     3  H    0.176873   0.172996   0.591056  -0.032030   0.018567  -0.014138
     4  H   -0.000982   0.124249  -0.032030   1.148944  -0.059839  -0.206137
     5  C   -0.086330   0.484927   0.018567  -0.059839   4.350797  -0.002875
     6  C   -0.108690   0.145730  -0.014138  -0.206137  -0.002875   9.344627
     7  H   -0.007771   0.038552   0.005045  -0.019584   0.300275   0.017617
     8  H   -0.021729   0.126453   0.000347   0.008716   0.328909  -0.088639
     9  H    0.043585  -0.033472  -0.005132  -0.007761   0.262480  -0.042021
    10  C   -0.023488  -0.439007  -0.067435   0.092753  -0.061186  -0.757752
    11  C    0.018803   0.024237   0.003365   0.005588   0.002360   0.511046
    12  C   -0.003183   0.055443   0.000187  -0.000695   0.003745  -0.224774
    13  C   -0.000542   0.019519  -0.000383   0.008103   0.003541   0.436680
    14  C    0.041814  -0.512574  -0.015916  -0.100114  -0.012466  -0.644519
    15  H    0.006257  -0.352965  -0.034118   0.014824  -0.004944  -1.090292
    16  H   -0.004819   0.014127   0.000728  -0.000362   0.000217   0.088094
    17  H    0.000780  -0.006411  -0.000081   0.000129  -0.000186   0.129440
    18  H   -0.002016   0.016651   0.000263  -0.003146   0.000368   0.013786
    19  H    0.030384  -0.312992  -0.007913   0.045629  -0.010440  -0.871807
               7          8          9         10         11         12
     1  O   -0.007771  -0.021729   0.043585  -0.023488   0.018803  -0.003183
     2  C    0.038552   0.126453  -0.033472  -0.439007   0.024237   0.055443
     3  H    0.005045   0.000347  -0.005132  -0.067435   0.003365   0.000187
     4  H   -0.019584   0.008716  -0.007761   0.092753   0.005588  -0.000695
     5  C    0.300275   0.328909   0.262480  -0.061186   0.002360   0.003745
     6  C    0.017617  -0.088639  -0.042021  -0.757752   0.511046  -0.224774
     7  H    0.598925  -0.035265  -0.024034   0.000835  -0.000435  -0.000148
     8  H   -0.035265   0.687333  -0.019893  -0.004606   0.000599   0.000363
     9  H   -0.024034  -0.019893   0.772255   0.012787  -0.001376  -0.001210
    10  C    0.000835  -0.004606   0.012787   8.247332  -0.991084   0.478249
    11  C   -0.000435   0.000599  -0.001376  -0.991084   7.517647  -0.296665
    12  C   -0.000148   0.000363  -0.001210   0.478249  -0.296665   6.787985
    13  C   -0.000390   0.000497  -0.003746  -0.198441   0.539392  -0.075736
    14  C    0.001684  -0.002700   0.029054   0.042301  -0.234992   0.437329
    15  H    0.001807   0.003304   0.003610   0.245361  -0.438940  -0.017333
    16  H   -0.000021  -0.000825   0.000019  -0.339836   0.008730  -0.545124
    17  H    0.000003   0.000005   0.000100  -0.020035  -0.381223   0.134954
    18  H    0.000002   0.000111  -0.001161   0.152040  -0.026120  -0.456043
    19  H   -0.000121  -0.000641   0.020987   0.060238   0.171602  -0.075404
              13         14         15         16         17         18
     1  O   -0.000542   0.041814   0.006257  -0.004819   0.000780  -0.002016
     2  C    0.019519  -0.512574  -0.352965   0.014127  -0.006411   0.016651
     3  H   -0.000383  -0.015916  -0.034118   0.000728  -0.000081   0.000263
     4  H    0.008103  -0.100114   0.014824  -0.000362   0.000129  -0.003146
     5  C    0.003541  -0.012466  -0.004944   0.000217  -0.000186   0.000368
     6  C    0.436680  -0.644519  -1.090292   0.088094   0.129440   0.013786
     7  H   -0.000390   0.001684   0.001807  -0.000021   0.000003   0.000002
     8  H    0.000497  -0.002700   0.003304  -0.000825   0.000005   0.000111
     9  H   -0.003746   0.029054   0.003610   0.000019   0.000100  -0.001161
    10  C   -0.198441   0.042301   0.245361  -0.339836  -0.020035   0.152040
    11  C    0.539392  -0.234992  -0.438940   0.008730  -0.381223  -0.026120
    12  C   -0.075736   0.437329  -0.017333  -0.545124   0.134954  -0.456043
    13  C    6.944048  -0.601516   0.205567  -0.092764  -0.271563  -0.109564
    14  C   -0.601516   8.151922   0.025582   0.165637  -0.038898  -0.379821
    15  H    0.205567   0.025582   2.478588  -0.562355   0.059907  -0.021384
    16  H   -0.092764   0.165637  -0.562355   2.460694  -0.543792   0.064405
    17  H   -0.271563  -0.038898   0.059907  -0.543792   2.035902  -0.536258
    18  H   -0.109564  -0.379821  -0.021384   0.064405  -0.536258   2.534332
    19  H   -0.353730   0.180280   0.056383  -0.020095   0.058337  -0.574412
              19
     1  O    0.030384
     2  C   -0.312992
     3  H   -0.007913
     4  H    0.045629
     5  C   -0.010440
     6  C   -0.871807
     7  H   -0.000121
     8  H   -0.000641
     9  H    0.020987
    10  C    0.060238
    11  C    0.171602
    12  C   -0.075404
    13  C   -0.353730
    14  C    0.180280
    15  H    0.056383
    16  H   -0.020095
    17  H    0.058337
    18  H   -0.574412
    19  H    2.136001
 Mulliken charges:
               1
     1  O   -0.242352
     2  C    0.212115
     3  H    0.207720
     4  H   -0.018288
     5  C    0.482078
     6  C   -0.635373
     7  H    0.123025
     8  H    0.017658
     9  H   -0.005071
    10  C   -0.429027
    11  C   -0.432534
    12  C   -0.201941
    13  C   -0.448973
    14  C   -0.532086
    15  H    0.421141
    16  H    0.307341
    17  H    0.378887
    18  H    0.327969
    19  H    0.467712
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.034632
     2  C    0.193828
     5  C    0.617690
     6  C   -0.635373
    10  C   -0.007886
    11  C   -0.125194
    12  C    0.176946
    13  C   -0.121004
    14  C   -0.064373
 Electronic spatial extent (au):  <R**2>=           1266.5555
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.2597    Y=             -0.8314    Z=             -0.3696  Tot=              1.5539
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.5852   YY=            -50.7320   ZZ=            -54.3285
   XY=              2.8300   XZ=             -0.1084   YZ=              0.9625
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.0366   YY=              2.8166   ZZ=             -0.7799
   XY=              2.8300   XZ=             -0.1084   YZ=              0.9625
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             21.6966  YYY=              2.1152  ZZZ=            -11.2303  XYY=              2.8579
  XXY=             -7.9272  XXZ=              5.1578  XZZ=            -13.3218  YZZ=              4.1145
  YYZ=             -1.8801  XYZ=              2.2808
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1156.6909 YYYY=           -329.6062 ZZZZ=           -174.4081 XXXY=             18.5750
 XXXZ=             -6.6916 YYYX=             -3.4655 YYYZ=              5.8748 ZZZX=             20.9293
 ZZZY=            -12.1975 XXYY=           -246.5574 XXZZ=           -234.4006 YYZZ=            -87.8646
 XXYZ=              7.6151 YYXZ=              4.9497 ZZXY=             -6.9392
 N-N= 4.256499884117D+02 E-N=-1.745707191356D+03  KE= 3.810382356344D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:00:53 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30597404D-01-2.82856063D-01-1.67595774D-01
 Polarizability= 1.19740572D+02 9.78013254D-01 9.74025097D+01
                 3.90203320D-01 5.10432669D+00 6.74324891D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3088   -0.3086        0.4179    0.4117
 2      0.3088    0.3086       -2.5908   -2.5927      -11.7011  -11.6771
 3     -0.4179   -0.4117       26.7353   26.7166        2.5877    2.5927
 4      2.5908    2.5927       -0.0000    0.0000       -0.4158   -0.4117
 5    -15.0343  -15.0395        0.4158    0.4117       -0.3090   -0.3086
 6     -2.5877   -2.5927        0.3090    0.3086       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9259    0.9259        1.2350    1.2350
 2      7.7782    7.7782       -0.0000    0.0000        1.2350    1.2350
 3      7.7782    7.7782        0.9259    0.9259       -0.0000    0.0000
 4      0.9259    0.9259       -7.7782   -7.7782      -35.0313  -35.0313
 5     -1.2350   -1.2350       80.1497   80.1497        7.7782    7.7782
 6    -45.1184  -45.1184        1.2350    1.2350       -0.9259   -0.9259
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0262    0.0000        1.3279    1.2345       -1.9215   -1.6466
 2     -1.2660   -1.2345       10.0356   10.3709       46.6379   46.7084
 3      1.5823    1.6466     -106.5730 -106.8662      -10.2345  -10.3709
 4     -9.6190  -10.3709        0.0868    0.0000        1.5819    1.6466
 5     60.0153   60.1579       -1.3024   -1.6466        0.9244    1.2345
 6     10.4341   10.3709       -1.4429   -1.2345       -0.0788    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0871    0.0000       -3.2412   -3.0766       -7.5475   -7.7677
 2      2.9957    3.0766      -45.8413  -46.5648      -27.2685  -27.5428
 3      7.4216    7.7677      -22.3050  -21.9974       46.4202   46.5648
 4     46.5522   46.5648        0.1670    0.0000        7.8143    7.7677
 5     48.9817   49.5402       -8.0614   -7.7677       -3.4148   -3.0766
 6    -46.6592  -46.5648        2.9487    3.0766       -0.1019    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     29.1013   29.5126        6.8497    6.8199       21.2387   21.4347
 2     99.9645  100.0369        3.2769    2.9548       21.4704   21.4347
 3     99.9169  100.0369        7.1484    6.8199       20.0835   20.0769
 4      3.9035    3.8651      -70.7567  -70.5243      -31.7973  -32.1058
 5     -1.6143   -1.3578      -39.2575  -38.6207       70.5152   70.5243
 6     69.5649   70.7264        0.8394    1.3578       -4.7050   -3.8651
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.8089   -0.4215   -0.0005   -0.0002    0.0002    1.4241
 Low frequencies ---   43.0112  128.5765  208.3018
 Diagonal vibrational polarizability:
       26.4278951       9.1330609      23.0022617
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.0060               128.5765               208.3017
 Red. masses --      3.4412                 3.4053                 2.2256
 Frc consts  --      0.0037                 0.0332                 0.0569
 IR Inten    --      0.8160                 0.1614                 0.2897
 RamAct Fr= 1--      3.8665                 4.3275                 0.2589
  Dep-P Fr= 1--      0.7486                 0.7460                 0.3015
  Dep-U Fr= 1--      0.8562                 0.8545                 0.4633
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0026
 Beta2  Fr= 1--      0.5518                 0.6163                 0.0200
 AlphaG Fr= 1--      0.0007                 0.0007                -0.0019
 Gamma2 Fr= 1--     -0.2694                -0.4076                -0.1173
 Delta2 Fr= 1--     -0.5023                -0.1457                -0.0449
 Raman1 Fr= 1--      15.466                 17.310                  1.036
 ROA1   Fr= 1--     -41.931                -43.789                -12.697
 CID1   Fr= 1--      -2.711                 -2.530                -12.259
 Raman2 Fr= 1--       6.621                  7.396                  0.240
 ROA2   Fr= 1--      -2.446                 -8.616                 -2.456
 CID2   Fr= 1--      -0.369                 -1.165                -10.238
 Raman3 Fr= 1--      13.243                 14.792                  0.480
 ROA3   Fr= 1--     -41.931                -43.789                -12.697
 CID3   Fr= 1--      -3.166                 -2.960                -26.459
 RC180  Fr= 1--       0.712                  0.709                 -0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.14  -0.15    -0.14  -0.05   0.01     0.11   0.09   0.04
     2   6    -0.00  -0.04   0.07    -0.00   0.01  -0.04    -0.01  -0.03  -0.01
     3   1     0.10  -0.27  -0.14    -0.31  -0.10  -0.09     0.17   0.12   0.08
     4   1    -0.00  -0.13   0.23    -0.05  -0.03   0.04    -0.16   0.01  -0.02
     5   6    -0.04   0.23   0.07     0.23   0.07   0.08     0.05   0.07   0.03
     6   6    -0.00  -0.03   0.05    -0.00   0.04  -0.18    -0.01  -0.12  -0.05
     7   1    -0.04   0.23   0.07     0.22  -0.01   0.29    -0.02   0.54   0.10
     8   1    -0.04   0.33  -0.09     0.28   0.12  -0.02     0.48  -0.08   0.13
     9   1    -0.07   0.32   0.23     0.38   0.13   0.07    -0.26  -0.17  -0.11
    10   6    -0.02  -0.05   0.17    -0.00   0.02  -0.11    -0.09  -0.09  -0.05
    11   6    -0.02  -0.03   0.13    -0.01  -0.03   0.08    -0.12   0.01  -0.01
    12   6     0.00   0.01  -0.03    -0.03  -0.05   0.20    -0.05   0.06   0.02
    13   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.04   0.03   0.01
    14   6     0.02   0.01  -0.12    -0.01   0.03  -0.14     0.05  -0.08  -0.03
    15   1    -0.04  -0.08   0.29     0.00   0.03  -0.15    -0.16  -0.14  -0.07
    16   1    -0.04  -0.04   0.23    -0.01  -0.05   0.18    -0.19   0.04  -0.00
    17   1     0.00   0.03  -0.07    -0.04  -0.10   0.39    -0.06   0.13   0.06
    18   1     0.04   0.07  -0.29    -0.03  -0.04   0.11     0.10   0.07   0.04
    19   1     0.03   0.03  -0.21    -0.01   0.04  -0.21     0.12  -0.11  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    252.9601               306.7412               330.7528
 Red. masses --      1.3608                 3.1480                 1.2919
 Frc consts  --      0.0513                 0.1745                 0.0833
 IR Inten    --      4.6172                 2.1068                95.9145
 RamAct Fr= 1--      0.1243                 1.8267                 0.6844
  Dep-P Fr= 1--      0.2504                 0.2260                 0.4542
  Dep-U Fr= 1--      0.4005                 0.3687                 0.6247
 Alpha2 Fr= 1--      0.0015                 0.0231                 0.0041
 Beta2  Fr= 1--      0.0083                 0.1123                 0.0713
 AlphaG Fr= 1--      0.0023                -0.0069                 0.0035
 Gamma2 Fr= 1--     -0.0206                -0.8475                -0.4319
 Delta2 Fr= 1--      0.0208                -0.2326                -0.4011
 Raman1 Fr= 1--       0.497                  7.307                  2.738
 ROA1   Fr= 1--      -1.309                -88.802                -54.292
 CID1   Fr= 1--      -2.633                -12.154                -19.832
 Raman2 Fr= 1--       0.100                  1.347                  0.855
 ROA2   Fr= 1--      -0.660                -18.480                 -7.156
 CID2   Fr= 1--      -6.635                -13.718                 -8.369
 Raman3 Fr= 1--       0.199                  2.694                  1.710
 ROA3   Fr= 1--      -1.309                -88.802                -54.292
 CID3   Fr= 1--      -6.575                -32.959                -31.748
 RC180  Fr= 1--      -0.199                 -0.263                  0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.08  -0.04     0.04   0.01  -0.13     0.04  -0.05  -0.03
     2   6     0.00   0.00   0.01     0.02   0.03  -0.09     0.01  -0.02   0.04
     3   1     0.03   0.02   0.03     0.22   0.12  -0.02     0.69   0.51   0.41
     4   1     0.06  -0.03   0.04     0.04   0.03  -0.09     0.04  -0.04   0.06
     5   6    -0.01  -0.02   0.00     0.25  -0.05  -0.00    -0.01  -0.02   0.04
     6   6     0.00   0.06   0.01    -0.03   0.04   0.03    -0.01   0.02   0.00
     7   1    -0.07   0.51  -0.02     0.23  -0.13   0.26     0.01  -0.11   0.02
     8   1     0.43  -0.27   0.25     0.34  -0.07   0.01    -0.09   0.01   0.02
     9   1    -0.40  -0.37  -0.23     0.45  -0.04  -0.15     0.05   0.03   0.07
    10   6     0.04   0.05   0.02    -0.06   0.01   0.15    -0.01   0.03  -0.05
    11   6     0.05   0.00   0.00    -0.05   0.00   0.04    -0.00   0.01  -0.03
    12   6     0.02  -0.02  -0.00    -0.08   0.01  -0.14    -0.03  -0.02   0.05
    13   6    -0.02  -0.00   0.00    -0.10  -0.03   0.03    -0.04  -0.00  -0.01
    14   6    -0.02   0.04   0.01    -0.09  -0.02   0.14    -0.03   0.02  -0.06
    15   1     0.07   0.07   0.03    -0.06  -0.00   0.23     0.01   0.04  -0.04
    16   1     0.08  -0.01  -0.00    -0.01  -0.02   0.04     0.01   0.01  -0.04
    17   1     0.03  -0.05  -0.00    -0.06   0.02  -0.33    -0.03  -0.05   0.12
    18   1    -0.05  -0.03  -0.00    -0.10  -0.03   0.04    -0.04  -0.01  -0.01
    19   1    -0.05   0.06   0.00    -0.15  -0.01   0.21    -0.05   0.04  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    365.9565               415.0659               486.0605
 Red. masses --      2.5350                 2.9362                 3.5055
 Frc consts  --      0.2000                 0.2980                 0.4879
 IR Inten    --     38.2350                 0.5618                 5.9583
 RamAct Fr= 1--      1.9816                 0.0183                 2.9807
  Dep-P Fr= 1--      0.4121                 0.6226                 0.1173
  Dep-U Fr= 1--      0.5837                 0.7674                 0.2100
 Alpha2 Fr= 1--      0.0140                 0.0000                 0.0500
 Beta2  Fr= 1--      0.1928                 0.0023                 0.1043
 AlphaG Fr= 1--     -0.0075                -0.0019                -0.0015
 Gamma2 Fr= 1--      0.4153                -0.1449                 0.0774
 Delta2 Fr= 1--      0.0377                -0.0178                -0.0346
 Raman1 Fr= 1--       7.926                  0.073                 11.923
 ROA1   Fr= 1--      41.079                -14.477                  6.325
 CID1   Fr= 1--       5.183               -197.912                  0.531
 Raman2 Fr= 1--       2.313                  0.028                  1.252
 ROA2   Fr= 1--       9.666                 -3.334                  2.135
 CID2   Fr= 1--       4.179               -118.802                  1.705
 Raman3 Fr= 1--       4.626                  0.056                  2.504
 ROA3   Fr= 1--      41.079                -14.477                  6.325
 CID3   Fr= 1--       8.879               -257.906                  2.526
 RC180  Fr= 1--       0.167                  0.535                 -0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.22   0.01  -0.03    -0.01  -0.01  -0.01     0.06  -0.11   0.21
     2   6     0.04   0.00   0.08    -0.01   0.00  -0.00     0.19  -0.12  -0.05
     3   1    -0.20  -0.66  -0.37     0.09   0.09   0.06    -0.17   0.05   0.12
     4   1     0.05  -0.01   0.10    -0.01   0.00   0.00     0.26  -0.11  -0.10
     5   6     0.00  -0.09   0.07    -0.00  -0.00   0.00     0.04   0.09  -0.16
     6   6    -0.01   0.05   0.06    -0.00   0.00  -0.01     0.07   0.07  -0.03
     7   1     0.00  -0.10   0.04    -0.00  -0.00   0.01     0.04   0.30  -0.40
     8   1    -0.01  -0.18   0.20     0.01  -0.00   0.00     0.06   0.23  -0.39
     9   1     0.01  -0.16  -0.04    -0.00  -0.00  -0.00    -0.25   0.16   0.16
    10   6    -0.02   0.08  -0.06     0.02   0.04  -0.21    -0.04   0.10   0.02
    11   6    -0.03   0.03  -0.02    -0.01  -0.05   0.20    -0.04   0.03   0.03
    12   6    -0.08  -0.04   0.07     0.01   0.00  -0.00    -0.12  -0.03  -0.05
    13   6    -0.08  -0.00  -0.06     0.02   0.04  -0.20    -0.08  -0.06   0.00
    14   6    -0.07   0.04  -0.05    -0.01  -0.04   0.21    -0.06   0.00   0.01
    15   1    -0.02   0.10  -0.17     0.03   0.09  -0.42    -0.07   0.07   0.04
    16   1     0.03   0.01  -0.05    -0.03  -0.10   0.45     0.05  -0.02   0.07
    17   1    -0.08  -0.09   0.16     0.01   0.00  -0.01    -0.12  -0.04  -0.09
    18   1    -0.09   0.00  -0.11     0.03   0.09  -0.43    -0.07  -0.05   0.03
    19   1    -0.13   0.08  -0.11    -0.02  -0.10   0.45    -0.18   0.04   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.7200               620.3149               637.8217
 Red. masses --      2.9885                 3.9987                 6.3591
 Frc consts  --      0.5360                 0.9066                 1.5242
 IR Inten    --     17.7591                 8.2829                 0.3923
 RamAct Fr= 1--      0.4418                 1.1475                 4.4965
  Dep-P Fr= 1--      0.2777                 0.6809                 0.7384
  Dep-U Fr= 1--      0.4347                 0.8102                 0.8495
 Alpha2 Fr= 1--      0.0048                 0.0014                 0.0009
 Beta2  Fr= 1--      0.0320                 0.1549                 0.6366
 AlphaG Fr= 1--      0.0018                -0.0023                -0.0036
 Gamma2 Fr= 1--      0.0704                 0.1782                -0.0088
 Delta2 Fr= 1--     -0.0220                -0.0475                -0.0082
 Raman1 Fr= 1--       1.767                  4.590                 17.986
 ROA1   Fr= 1--       6.048                 15.593                 -1.108
 CID1   Fr= 1--       3.422                  3.397                 -0.062
 Raman2 Fr= 1--       0.384                  1.859                  7.640
 ROA2   Fr= 1--       1.865                  4.658                 -0.145
 CID2   Fr= 1--       4.855                  2.505                 -0.019
 Raman3 Fr= 1--       0.768                  3.719                 15.279
 ROA3   Fr= 1--       6.048                 15.593                 -1.108
 CID3   Fr= 1--       7.872                  4.193                 -0.073
 RC180  Fr= 1--      -0.131                  0.620                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07   0.01   0.00    -0.12   0.01  -0.08    -0.02   0.03  -0.03
     2   6     0.01  -0.00  -0.07     0.18   0.22   0.11     0.02   0.04   0.02
     3   1    -0.11   0.13   0.00    -0.06   0.10  -0.02     0.01   0.04  -0.01
     4   1     0.09   0.04  -0.15     0.19   0.17   0.20     0.04   0.03   0.03
     5   6     0.08   0.03  -0.09     0.00   0.01   0.02    -0.01   0.00   0.03
     6   6    -0.01  -0.06   0.27     0.19  -0.04   0.01     0.01   0.13   0.03
     7   1     0.06   0.07   0.05     0.05  -0.14  -0.33    -0.00  -0.03  -0.01
     8   1     0.20   0.07  -0.19    -0.31  -0.16   0.38    -0.05  -0.03   0.09
     9   1     0.13   0.07  -0.07    -0.06  -0.13  -0.15    -0.00  -0.02  -0.02
    10   6    -0.01  -0.01   0.05     0.01   0.01   0.00    -0.26   0.18   0.01
    11   6    -0.00   0.02  -0.13    -0.05   0.11   0.02    -0.23  -0.25  -0.06
    12   6    -0.02  -0.04   0.18    -0.19   0.01  -0.01    -0.00  -0.14  -0.04
    13   6     0.02   0.02  -0.14     0.02  -0.10  -0.03     0.29  -0.22  -0.02
    14   6     0.00  -0.02   0.06     0.04  -0.21  -0.04     0.22   0.20   0.05
    15   1    -0.00   0.04  -0.24    -0.19  -0.13  -0.02    -0.16   0.25   0.05
    16   1     0.02   0.09  -0.48     0.03   0.07   0.03    -0.06  -0.33  -0.04
    17   1    -0.03  -0.03   0.21    -0.19   0.02   0.00    -0.06   0.28   0.06
    18   1     0.04   0.10  -0.48     0.21   0.04   0.01     0.18  -0.31  -0.02
    19   1     0.02   0.05  -0.23    -0.05  -0.17  -0.03     0.05   0.27   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    715.5722               778.1706               781.6813
 Red. masses --      1.7378                 2.0553                 3.0939
 Frc consts  --      0.5243                 0.7333                 1.1138
 IR Inten    --     43.1149                22.6151                 5.7145
 RamAct Fr= 1--      0.0443                 2.7632                11.3422
  Dep-P Fr= 1--      0.0118                 0.1206                 0.0134
  Dep-U Fr= 1--      0.0234                 0.2152                 0.0264
 Alpha2 Fr= 1--      0.0010                 0.0460                 0.2443
 Beta2  Fr= 1--      0.0002                 0.0991                 0.0499
 AlphaG Fr= 1--     -0.0012                 0.0117                -0.0383
 Gamma2 Fr= 1--      0.0151                 0.3483                 0.3908
 Delta2 Fr= 1--      0.0007                 0.0041                 0.2648
 Raman1 Fr= 1--       0.177                 11.053                 45.369
 ROA1   Fr= 1--       1.469                 33.565                 45.992
 CID1   Fr= 1--       8.293                  3.037                  1.014
 Raman2 Fr= 1--       0.002                  1.189                  0.599
 ROA2   Fr= 1--       0.357                  8.326                  7.262
 CID2   Fr= 1--     172.193                  6.999                 12.130
 Raman3 Fr= 1--       0.004                  2.379                  1.197
 ROA3   Fr= 1--       1.469                 33.565                 45.992
 CID3   Fr= 1--     354.636                 14.109                 38.413
 RC180  Fr= 1--      -0.953                 -0.570                 -0.947
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00    -0.02   0.03  -0.01     0.01   0.04  -0.02
     2   6     0.00  -0.00   0.00    -0.07  -0.06  -0.04    -0.12  -0.13  -0.08
     3   1    -0.00  -0.02  -0.01    -0.02   0.01  -0.02     0.04  -0.02  -0.01
     4   1    -0.02  -0.00   0.02    -0.01   0.00  -0.14    -0.17  -0.06  -0.16
     5   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01    -0.08  -0.04   0.09
     6   6     0.00   0.02  -0.10     0.02  -0.03   0.18     0.07   0.04  -0.14
     7   1     0.00  -0.01  -0.03    -0.06   0.04   0.28    -0.13   0.06   0.37
     8   1    -0.03  -0.01   0.02     0.18   0.05  -0.17     0.13   0.06  -0.14
     9   1    -0.02  -0.01   0.00     0.08   0.06   0.04    -0.03   0.06   0.22
    10   6    -0.01  -0.02   0.07     0.02   0.08  -0.06     0.03   0.13   0.09
    11   6     0.01   0.03  -0.14     0.03   0.07   0.03     0.07   0.15   0.02
    12   6    -0.00  -0.01   0.07    -0.05   0.02  -0.12    -0.12  -0.04   0.08
    13   6     0.01   0.03  -0.14     0.03  -0.06  -0.01     0.07  -0.11  -0.03
    14   6    -0.01  -0.01   0.07     0.03  -0.03  -0.09     0.05  -0.09   0.04
    15   1    -0.03  -0.09   0.47    -0.01   0.04   0.01    -0.02   0.11   0.01
    16   1    -0.02  -0.05   0.20     0.09  -0.06   0.46     0.29   0.14  -0.31
    17   1    -0.03  -0.12   0.56    -0.09  -0.12   0.47    -0.08   0.02  -0.36
    18   1    -0.02  -0.05   0.22     0.07  -0.11   0.49     0.22   0.05  -0.32
    19   1    -0.04  -0.11   0.51    -0.02  -0.04   0.04    -0.03  -0.04  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.7160               917.7069               931.9910
 Red. masses --      1.2479                 2.1663                 1.4618
 Frc consts  --      0.5472                 1.0749                 0.7481
 IR Inten    --      0.1457                 9.8239                 6.9443
 RamAct Fr= 1--      0.8784                 3.3675                 1.0910
  Dep-P Fr= 1--      0.5411                 0.6920                 0.5762
  Dep-U Fr= 1--      0.7022                 0.8180                 0.7311
 Alpha2 Fr= 1--      0.0035                 0.0034                 0.0036
 Beta2  Fr= 1--      0.1028                 0.4591                 0.1329
 AlphaG Fr= 1--      0.0035                -0.0069                -0.0012
 Gamma2 Fr= 1--     -0.1666                -0.0039                -1.3871
 Delta2 Fr= 1--     -0.1079                -0.3079                 0.2489
 Raman1 Fr= 1--       3.513                 13.470                  4.364
 ROA1   Fr= 1--     -19.443                -10.225               -125.194
 CID1   Fr= 1--      -5.534                 -0.759                -28.688
 Raman2 Fr= 1--       1.234                  5.509                  1.595
 ROA2   Fr= 1--      -3.135                  2.370                -35.281
 CID2   Fr= 1--      -2.541                  0.430                -22.115
 Raman3 Fr= 1--       2.467                 11.018                  3.191
 ROA3   Fr= 1--     -19.443                -10.225               -125.194
 CID3   Fr= 1--      -7.881                 -0.928                -39.237
 RC180  Fr= 1--       0.404                  0.636                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.11  -0.09     0.02  -0.04   0.03
     2   6    -0.01   0.00  -0.01     0.15  -0.08  -0.03    -0.03   0.02  -0.01
     3   1    -0.01  -0.01  -0.01    -0.06   0.11  -0.09     0.02  -0.00   0.03
     4   1    -0.01  -0.01   0.01     0.22   0.04  -0.22    -0.10  -0.03   0.08
     5   6    -0.00   0.00   0.00     0.00  -0.10   0.15    -0.00   0.03  -0.01
     6   6    -0.00   0.00  -0.00     0.04   0.01  -0.01    -0.01   0.01  -0.07
     7   1    -0.00  -0.00   0.01    -0.02   0.19  -0.09     0.01  -0.06  -0.03
     8   1    -0.00  -0.00   0.01    -0.02   0.13  -0.19    -0.06  -0.04   0.11
     9   1     0.01   0.00  -0.01    -0.35   0.05   0.64     0.05  -0.03  -0.14
    10   6     0.00   0.01  -0.06    -0.01  -0.04   0.02    -0.00  -0.00   0.08
    11   6     0.01   0.02  -0.08    -0.02  -0.05  -0.01     0.01   0.01   0.03
    12   6    -0.00   0.00  -0.01     0.02   0.01  -0.04     0.00   0.02  -0.09
    13   6    -0.00  -0.02   0.07    -0.05   0.05  -0.00     0.01  -0.01  -0.03
    14   6    -0.00  -0.02   0.08    -0.01   0.01   0.04    -0.00  -0.03   0.11
    15   1    -0.02  -0.08   0.44    -0.01  -0.01  -0.18     0.03   0.10  -0.42
    16   1    -0.03  -0.11   0.51    -0.08  -0.03   0.00     0.04   0.05  -0.17
    17   1    -0.01  -0.01   0.05     0.00  -0.06   0.22    -0.04  -0.12   0.56
    18   1     0.04   0.10  -0.47    -0.10   0.01   0.02     0.01  -0.03   0.12
    19   1     0.03   0.11  -0.50     0.00   0.07  -0.20     0.04   0.12  -0.56
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.0848               983.7900              1009.1588
 Red. masses --      1.3337                 1.2602                 2.2581
 Frc consts  --      0.7379                 0.7186                 1.3549
 IR Inten    --      0.0091                 1.1016                43.2370
 RamAct Fr= 1--      0.0174                 0.0728                13.1921
  Dep-P Fr= 1--      0.7015                 0.6363                 0.2468
  Dep-U Fr= 1--      0.8246                 0.7777                 0.3959
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.1578
 Beta2  Fr= 1--      0.0024                 0.0094                 0.8704
 AlphaG Fr= 1--      0.0010                -0.0004                -0.0767
 Gamma2 Fr= 1--      0.0648                 0.2186                 2.0297
 Delta2 Fr= 1--     -0.0109                -0.1237                 1.4166
 Raman1 Fr= 1--       0.069                  0.291                 52.769
 ROA1   Fr= 1--       5.870                 17.026                240.185
 CID1   Fr= 1--      84.486                 58.432                  4.552
 Raman2 Fr= 1--       0.029                  0.113                 10.445
 ROA2   Fr= 1--       1.642                  6.236                 37.380
 CID2   Fr= 1--      57.337                 55.036                  3.579
 Raman3 Fr= 1--       0.057                  0.227                 20.890
 ROA3   Fr= 1--       5.870                 17.026                240.185
 CID3   Fr= 1--     102.463                 75.135                 11.498
 RC180  Fr= 1--       0.649                  0.555                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.01   0.01     0.05  -0.10   0.04
     2   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.06   0.11  -0.15
     3   1    -0.02   0.00  -0.01     0.00   0.02   0.01    -0.25   0.28  -0.05
     4   1     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.33   0.11  -0.25
     5   6    -0.00  -0.00   0.00    -0.00   0.01   0.01    -0.15   0.01   0.08
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.06   0.03   0.00
     7   1    -0.01   0.01   0.02    -0.00  -0.01   0.00    -0.19  -0.05   0.63
     8   1     0.01   0.00  -0.01    -0.01  -0.01   0.03     0.15  -0.05   0.11
     9   1     0.00   0.01   0.01     0.00  -0.01  -0.02     0.20   0.06  -0.09
    10   6     0.01   0.01  -0.08    -0.00  -0.02   0.08     0.05  -0.08  -0.01
    11   6    -0.00  -0.01   0.04     0.01   0.02  -0.10    -0.03  -0.06  -0.01
    12   6    -0.00  -0.01   0.05    -0.00  -0.01   0.06    -0.06   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.00  -0.03    -0.02   0.03   0.01
    14   6    -0.01  -0.02   0.08    -0.00   0.00   0.01     0.02   0.05   0.00
    15   1    -0.02  -0.08   0.40     0.02   0.10  -0.54     0.03  -0.10  -0.00
    16   1     0.01   0.04  -0.18    -0.04  -0.13   0.62    -0.09  -0.03  -0.05
    17   1     0.02   0.07  -0.33     0.03   0.08  -0.41    -0.07   0.05   0.04
    18   1    -0.04  -0.14   0.63    -0.02  -0.06   0.26    -0.02   0.04  -0.03
    19   1     0.03   0.10  -0.47     0.00   0.03  -0.11    -0.03   0.06   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.1786              1053.5020              1070.5286
 Red. masses --      5.7173                 2.1794                 1.6888
 Frc consts  --      3.5472                 1.4252                 1.1403
 IR Inten    --      3.4614                 7.0778                17.2363
 RamAct Fr= 1--     39.5426                18.0135                 6.2071
  Dep-P Fr= 1--      0.0396                 0.0362                 0.0944
  Dep-U Fr= 1--      0.0762                 0.0699                 0.1726
 Alpha2 Fr= 1--      0.8006                 0.3677                 0.1102
 Beta2  Fr= 1--      0.5019                 0.2097                 0.1785
 AlphaG Fr= 1--      0.0431                 0.0304                 0.0156
 Gamma2 Fr= 1--     -0.8761                -0.2231                 0.1015
 Delta2 Fr= 1--     -0.3614                -0.1611                -0.6231
 Raman1 Fr= 1--     158.170                 72.054                 24.828
 ROA1   Fr= 1--     -95.672                -26.576                -10.201
 CID1   Fr= 1--      -0.605                 -0.369                 -0.411
 Raman2 Fr= 1--       6.023                  2.516                  2.142
 ROA2   Fr= 1--     -18.136                 -4.066                  7.420
 CID2   Fr= 1--      -3.011                 -1.616                  3.463
 Raman3 Fr= 1--      12.046                  5.033                  4.285
 ROA3   Fr= 1--     -95.672                -26.576                -10.201
 CID3   Fr= 1--      -7.942                 -5.280                 -2.381
 RC180  Fr= 1--      -0.848                 -0.860                 -0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.02     0.01  -0.01   0.00     0.02   0.01  -0.00
     2   6     0.05   0.05  -0.08     0.02   0.02  -0.02     0.03  -0.09  -0.14
     3   1    -0.13   0.14  -0.03    -0.04   0.05  -0.01    -0.28   0.35  -0.10
     4   1     0.10   0.06  -0.11     0.06   0.03  -0.04    -0.21  -0.19   0.11
     5   6    -0.06   0.01   0.05    -0.00  -0.01   0.02     0.02   0.08   0.09
     6   6     0.04   0.01   0.01    -0.02   0.00   0.00    -0.01  -0.06   0.04
     7   1    -0.07  -0.02   0.24    -0.00   0.02   0.00     0.09  -0.17  -0.25
     8   1     0.04  -0.03   0.08    -0.01   0.01   0.01    -0.32  -0.10   0.47
     9   1     0.07   0.02  -0.02    -0.03   0.00   0.05    -0.09  -0.13  -0.14
    10   6    -0.22   0.28   0.05    -0.03  -0.08  -0.02    -0.04   0.04  -0.01
    11   6    -0.03  -0.06  -0.02    -0.00   0.18   0.04     0.03   0.04   0.01
    12   6     0.36   0.05   0.03     0.13   0.02   0.01    -0.01  -0.05  -0.01
    13   6    -0.03   0.05   0.01     0.05  -0.18  -0.03    -0.03   0.02   0.00
    14   6    -0.14  -0.34  -0.09    -0.06   0.06   0.01     0.04   0.05  -0.00
    15   1    -0.20   0.30   0.06    -0.32  -0.30  -0.05    -0.13  -0.04   0.05
    16   1    -0.04  -0.04  -0.01    -0.36   0.34   0.03     0.15  -0.01   0.01
    17   1     0.37   0.06   0.04     0.15   0.02   0.02     0.02  -0.24  -0.07
    18   1    -0.02   0.05  -0.00    -0.24  -0.41  -0.11    -0.12  -0.04  -0.01
    19   1    -0.12  -0.36  -0.05    -0.39   0.19   0.03     0.17  -0.02   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1102.2961              1129.1320              1184.7885
 Red. masses --      1.7699                 1.9636                 1.1186
 Frc consts  --      1.2670                 1.4750                 0.9251
 IR Inten    --     31.8382                14.1938                 0.1026
 RamAct Fr= 1--      4.9157                 1.2700                 4.3906
  Dep-P Fr= 1--      0.1368                 0.7499                 0.7478
  Dep-U Fr= 1--      0.2407                 0.8571                 0.8557
 Alpha2 Fr= 1--      0.0786                 0.0000                 0.0002
 Beta2  Fr= 1--      0.1972                 0.1814                 0.6262
 AlphaG Fr= 1--      0.0521                -0.0005                -0.0000
 Gamma2 Fr= 1--      0.1569                -1.9731                 0.0934
 Delta2 Fr= 1--     -0.1469                -0.5820                 0.0392
 Raman1 Fr= 1--      19.663                  5.080                 17.562
 ROA1   Fr= 1--      10.361               -208.039                 10.217
 CID1   Fr= 1--       0.527                -40.954                  0.582
 Raman2 Fr= 1--       2.366                  2.177                  7.514
 ROA2   Fr= 1--       4.941                -42.698                  1.927
 CID2   Fr= 1--       2.089                -19.614                  0.256
 Raman3 Fr= 1--       4.732                  4.354                 15.028
 ROA3   Fr= 1--      10.361               -208.039                 10.217
 CID3   Fr= 1--       2.190                -47.782                  0.680
 RC180  Fr= 1--      -0.519                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.04   0.01     0.03  -0.09   0.03     0.00   0.00   0.00
     2   6    -0.04   0.04  -0.11    -0.07   0.19  -0.06    -0.00  -0.01  -0.00
     3   1    -0.07   0.06  -0.02     0.13  -0.19   0.07     0.00  -0.00  -0.00
     4   1    -0.12   0.03  -0.08    -0.07   0.30  -0.26    -0.00  -0.01   0.01
     5   6     0.06  -0.01   0.07     0.05  -0.07   0.04     0.00   0.00   0.00
     6   6    -0.08   0.02   0.04    -0.05  -0.02   0.01     0.00   0.00   0.00
     7   1     0.09   0.04  -0.32     0.04   0.19  -0.20     0.00  -0.01  -0.01
     8   1    -0.22   0.03   0.09    -0.08   0.11  -0.19    -0.01  -0.00   0.01
     9   1    -0.22  -0.06   0.20    -0.21   0.02   0.36    -0.00  -0.01  -0.01
    10   6     0.09  -0.01  -0.00    -0.07   0.01  -0.01    -0.00  -0.01  -0.00
    11   6    -0.02  -0.03  -0.01     0.04   0.04   0.01     0.04  -0.02  -0.00
    12   6    -0.03   0.06   0.01    -0.01  -0.04  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.05  -0.01    -0.01   0.02   0.00    -0.04  -0.03  -0.01
    14   6    -0.07  -0.04  -0.03     0.07   0.01   0.00     0.01  -0.01  -0.00
    15   1     0.43   0.24   0.11    -0.24  -0.11  -0.01    -0.14  -0.11  -0.03
    16   1    -0.13   0.01   0.00     0.24  -0.03   0.01     0.44  -0.19  -0.01
    17   1    -0.08   0.42   0.08     0.03  -0.30  -0.06    -0.09   0.67   0.13
    18   1     0.29   0.09   0.05    -0.08  -0.03  -0.01    -0.38  -0.28  -0.09
    19   1    -0.29   0.02   0.03     0.39  -0.12   0.02     0.14  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1201.7799              1222.3006              1280.2328
 Red. masses --      1.1401                 2.3042                 1.2835
 Frc consts  --      0.9701                 2.0283                 1.2394
 IR Inten    --      0.3290                 1.9461                48.3717
 RamAct Fr= 1--      6.9153                20.1462                 2.7582
  Dep-P Fr= 1--      0.4172                 0.0704                 0.4527
  Dep-U Fr= 1--      0.5888                 0.1315                 0.6232
 Alpha2 Fr= 1--      0.0481                 0.3790                 0.0167
 Beta2  Fr= 1--      0.6786                 0.4414                 0.2865
 AlphaG Fr= 1--     -0.0052                -0.0216                -0.0195
 Gamma2 Fr= 1--      0.2653                 0.7054                -0.9320
 Delta2 Fr= 1--      0.2658                 0.6014                 0.0774
 Raman1 Fr= 1--      27.661                 80.585                 11.033
 ROA1   Fr= 1--      33.973                 86.968                -86.995
 CID1   Fr= 1--       1.228                  1.079                 -7.885
 Raman2 Fr= 1--       8.143                  5.297                  3.438
 ROA2   Fr= 1--       4.240                 12.119                -22.987
 CID2   Fr= 1--       0.521                  2.288                 -6.686
 Raman3 Fr= 1--      16.286                 10.593                  6.876
 ROA3   Fr= 1--      33.973                 86.968                -86.995
 CID3   Fr= 1--       2.086                  8.210                -12.652
 RC180  Fr= 1--       0.178                 -0.737                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.02  -0.01   0.02     0.04  -0.03  -0.02
     2   6     0.02   0.00   0.01    -0.11  -0.01  -0.06    -0.02   0.06   0.04
     3   1    -0.03   0.02  -0.01     0.27  -0.33   0.11    -0.38   0.49  -0.14
     4   1     0.06  -0.01   0.02    -0.47   0.13  -0.17    -0.41  -0.12   0.46
     5   6    -0.01  -0.00  -0.00     0.03   0.02   0.01    -0.00  -0.08  -0.03
     6   6    -0.04  -0.00  -0.01     0.27  -0.00   0.03     0.05  -0.05  -0.01
     7   1    -0.01  -0.00   0.02     0.04  -0.02  -0.08    -0.04   0.15   0.02
     8   1     0.03   0.00  -0.02    -0.15   0.00   0.09     0.10   0.07  -0.29
     9   1     0.02   0.01  -0.01    -0.10  -0.04   0.02     0.02   0.05   0.15
    10   6     0.03   0.03   0.01     0.06   0.03   0.01     0.02   0.02   0.01
    11   6    -0.04   0.03   0.00    -0.08  -0.06  -0.02    -0.03   0.00  -0.00
    12   6    -0.01  -0.00  -0.00     0.02  -0.00   0.00     0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.08   0.05   0.01     0.00   0.02   0.01
    14   6     0.05  -0.02  -0.00     0.04   0.01   0.00    -0.00   0.02   0.00
    15   1     0.41   0.31   0.08    -0.03  -0.04  -0.00     0.02   0.03   0.00
    16   1    -0.40   0.18   0.01    -0.37   0.05  -0.01     0.03  -0.02  -0.00
    17   1    -0.01  -0.00  -0.00     0.01   0.04   0.01    -0.00   0.02   0.00
    18   1    -0.36  -0.28  -0.09    -0.35  -0.14  -0.05    -0.10  -0.05  -0.02
    19   1     0.50  -0.21  -0.01    -0.25   0.14   0.02    -0.11   0.06   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1319.4599              1354.7340              1386.6678
 Red. masses --      2.3563                 2.0370                 1.2725
 Frc consts  --      2.4170                 2.2026                 1.4416
 IR Inten    --     20.2050                 2.7168                 0.2915
 RamAct Fr= 1--      1.4014                 1.0964                 3.1013
  Dep-P Fr= 1--      0.2624                 0.6565                 0.6074
  Dep-U Fr= 1--      0.4157                 0.7926                 0.7558
 Alpha2 Fr= 1--      0.0160                 0.0018                 0.0081
 Beta2  Fr= 1--      0.0971                 0.1448                 0.3906
 AlphaG Fr= 1--      0.0299                -0.0043                -0.0102
 Gamma2 Fr= 1--     -0.5859                -0.0416                 1.5421
 Delta2 Fr= 1--     -0.2444                 0.0474                 0.5279
 Raman1 Fr= 1--       5.606                  4.386                 12.405
 ROA1   Fr= 1--     -64.064                 -2.474                164.929
 CID1   Fr= 1--     -11.428                 -0.564                 13.295
 Raman2 Fr= 1--       1.165                  1.738                  4.688
 ROA2   Fr= 1--     -12.106                 -1.377                 32.786
 CID2   Fr= 1--     -10.391                 -0.792                  6.994
 Raman3 Fr= 1--       2.330                  3.476                  9.376
 ROA3   Fr= 1--     -64.064                 -2.474                164.929
 CID3   Fr= 1--     -27.495                 -0.712                 17.591
 RC180  Fr= 1--      -0.169                  0.585                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.01   0.00    -0.01  -0.00  -0.00    -0.01   0.03   0.02
     2   6    -0.13  -0.01  -0.02     0.05   0.01   0.00    -0.05   0.05  -0.07
     3   1    -0.14   0.19  -0.05     0.01  -0.03   0.00     0.15  -0.18   0.06
     4   1     0.34  -0.36   0.38    -0.24   0.09  -0.04     0.53  -0.39   0.42
     5   6     0.04  -0.02   0.00    -0.02   0.00   0.00     0.03  -0.01  -0.03
     6   6     0.04   0.22   0.05    -0.02   0.01   0.00     0.02  -0.06  -0.01
     7   1     0.04   0.05  -0.08    -0.01  -0.03  -0.00    -0.01   0.04   0.19
     8   1    -0.09   0.05  -0.08     0.07  -0.01  -0.01    -0.15  -0.03   0.07
     9   1    -0.11  -0.06   0.04     0.04   0.02  -0.01    -0.15   0.01   0.14
    10   6    -0.03  -0.06  -0.01    -0.15  -0.08  -0.02     0.00  -0.00  -0.00
    11   6     0.08  -0.07  -0.01     0.09  -0.02   0.00    -0.05   0.02   0.00
    12   6    -0.01   0.08   0.02    -0.02   0.15   0.03     0.00  -0.00  -0.00
    13   6    -0.09  -0.07  -0.02    -0.07  -0.04  -0.01     0.04   0.04   0.01
    14   6     0.08  -0.07  -0.01     0.15  -0.04   0.00     0.00  -0.01  -0.00
    15   1    -0.27  -0.23  -0.07     0.43   0.36   0.10     0.14   0.10   0.02
    16   1    -0.37   0.10  -0.01     0.20  -0.06   0.00     0.22  -0.09  -0.00
    17   1     0.01  -0.06  -0.01     0.05  -0.34  -0.07     0.02  -0.14  -0.03
    18   1     0.19   0.14   0.05    -0.13  -0.09  -0.03    -0.19  -0.13  -0.04
    19   1     0.20  -0.12  -0.01    -0.50   0.24   0.02    -0.18   0.07   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1394.0529              1413.0389              1484.9550
 Red. masses --      1.4144                 1.3613                 1.0791
 Frc consts  --      1.6195                 1.6015                 1.4020
 IR Inten    --     28.4614                13.8879                 1.6931
 RamAct Fr= 1--      4.5019                 4.5317                 6.3510
  Dep-P Fr= 1--      0.3255                 0.5172                 0.6653
  Dep-U Fr= 1--      0.4911                 0.6818                 0.7990
 Alpha2 Fr= 1--      0.0427                 0.0206                 0.0096
 Beta2  Fr= 1--      0.3685                 0.5149                 0.8457
 AlphaG Fr= 1--      0.0111                -0.0053                 0.0129
 Gamma2 Fr= 1--     -0.2162                -0.3520                 2.0626
 Delta2 Fr= 1--     -0.7631                 0.0475                 0.1238
 Raman1 Fr= 1--      18.008                 18.127                 25.404
 ROA1   Fr= 1--     -45.173                -32.271                201.968
 CID1   Fr= 1--      -2.509                 -1.780                  7.950
 Raman2 Fr= 1--       4.422                  6.179                 10.149
 ROA2   Fr= 1--       0.915                 -8.828                 48.511
 CID2   Fr= 1--       0.207                 -1.429                  4.780
 Raman3 Fr= 1--       8.844                 12.358                 20.297
 ROA3   Fr= 1--     -45.173                -32.271                201.968
 CID3   Fr= 1--      -5.108                 -2.611                  9.950
 RC180  Fr= 1--      -0.018                  0.364                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.01  -0.02     0.02  -0.02  -0.02     0.00   0.00  -0.00
     2   6    -0.12  -0.03   0.09    -0.04  -0.03   0.08    -0.03  -0.02  -0.00
     3   1    -0.23   0.29  -0.10    -0.19   0.24  -0.07    -0.01   0.03  -0.00
     4   1     0.51   0.13  -0.38     0.04   0.19  -0.28     0.06  -0.01  -0.05
     5   6     0.02   0.02   0.06     0.07   0.03  -0.12    -0.03  -0.03  -0.02
     6   6     0.04  -0.03  -0.02     0.00   0.01  -0.01    -0.00   0.02   0.00
     7   1     0.06  -0.00  -0.33     0.02  -0.07   0.45    -0.03   0.32  -0.35
     8   1    -0.00   0.17  -0.18    -0.26  -0.22   0.38     0.13  -0.30   0.38
     9   1     0.08  -0.16  -0.28    -0.37   0.11   0.36     0.48   0.42   0.29
    10   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00   0.00
    11   6    -0.04   0.01  -0.00     0.00  -0.00   0.00    -0.02  -0.01  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    13   6     0.02   0.03   0.01    -0.00  -0.00   0.00     0.02   0.01   0.00
    14   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.02  -0.00
    15   1     0.08   0.05   0.01     0.02   0.02  -0.01    -0.03  -0.04  -0.01
    16   1     0.13  -0.06  -0.01     0.00  -0.00   0.00     0.02  -0.03  -0.00
    17   1     0.02  -0.12  -0.02     0.00  -0.01  -0.00     0.01  -0.10  -0.02
    18   1    -0.16  -0.11  -0.04    -0.01  -0.01  -0.00    -0.07  -0.07  -0.02
    19   1    -0.15   0.05  -0.01    -0.00   0.00  -0.02    -0.02  -0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.6808              1496.5617              1532.7118
 Red. masses --      1.6531                 1.1974                 2.2114
 Frc consts  --      2.1643                 1.5801                 3.0608
 IR Inten    --     16.0986                 0.4174                 7.2085
 RamAct Fr= 1--      1.0061                 5.2594                 0.1813
  Dep-P Fr= 1--      0.7500                 0.7114                 0.5796
  Dep-U Fr= 1--      0.8571                 0.8314                 0.7339
 Alpha2 Fr= 1--      0.0000                 0.0035                 0.0006
 Beta2  Fr= 1--      0.1437                 0.7288                 0.0222
 AlphaG Fr= 1--      0.0000                -0.0262                 0.0028
 Gamma2 Fr= 1--     -0.9555                -1.2174                 0.0976
 Delta2 Fr= 1--      0.3685                -1.0586                -0.0406
 Raman1 Fr= 1--       4.024                 21.038                  0.725
 ROA1   Fr= 1--     -79.939               -150.748                  8.068
 CID1   Fr= 1--     -19.864                 -7.166                 11.124
 Raman2 Fr= 1--       1.725                  8.745                  0.266
 ROA2   Fr= 1--     -25.881                -20.749                  2.666
 CID2   Fr= 1--     -15.005                 -2.373                 10.019
 Raman3 Fr= 1--       3.449                 17.491                  0.532
 ROA3   Fr= 1--     -79.939               -150.748                  8.068
 CID3   Fr= 1--     -23.174                 -8.619                 15.158
 RC180  Fr= 1--       0.714                  0.663                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.02   0.01   0.01    -0.04   0.03  -0.00    -0.03  -0.01  -0.00
     3   1     0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.01   0.01  -0.00
     4   1     0.23  -0.03  -0.03     0.16  -0.04   0.05    -0.04  -0.01   0.01
     5   6     0.01  -0.03  -0.00    -0.03   0.04  -0.01    -0.01  -0.00   0.00
     6   6     0.02  -0.11  -0.03     0.01  -0.06  -0.01     0.14   0.02   0.01
     7   1    -0.06   0.46   0.04     0.08  -0.54  -0.25     0.01  -0.02  -0.08
     8   1    -0.36   0.01   0.06     0.59  -0.14   0.07     0.07  -0.04   0.03
     9   1     0.26   0.05  -0.09    -0.20   0.11   0.27     0.03   0.05   0.05
    10   6    -0.07   0.03   0.00    -0.03   0.02   0.00    -0.05  -0.11  -0.02
    11   6     0.10   0.02   0.01     0.04   0.01   0.00    -0.13   0.09   0.01
    12   6     0.02  -0.09  -0.02     0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6    -0.11  -0.01  -0.01    -0.04   0.01  -0.00    -0.09  -0.11  -0.03
    14   6     0.06   0.05   0.01     0.03   0.02   0.01    -0.08   0.08   0.01
    15   1     0.09   0.16   0.03     0.01   0.05   0.02     0.38   0.20   0.06
    16   1    -0.22   0.17   0.02    -0.12   0.08   0.01     0.47  -0.15   0.00
    17   1    -0.06   0.46   0.09    -0.03   0.21   0.04     0.13   0.01   0.01
    18   1     0.20   0.23   0.06     0.06   0.09   0.02     0.40   0.24   0.08
    19   1    -0.10   0.12   0.02    -0.08   0.07   0.01     0.43  -0.11   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.1248              1649.1533              2979.9925
 Red. masses --      5.5115                 5.5518                 1.0837
 Frc consts  --      8.6291                 8.8963                 5.6699
 IR Inten    --      0.3969                 2.0979                42.1206
 RamAct Fr= 1--      7.3075                33.5467                91.5777
  Dep-P Fr= 1--      0.7445                 0.6153                 0.2185
  Dep-U Fr= 1--      0.8536                 0.7618                 0.3586
 Alpha2 Fr= 1--      0.0007                 0.0829                 1.1837
 Beta2  Fr= 1--      1.0396                 4.2594                 5.4731
 AlphaG Fr= 1--      0.0061                 0.0382                 1.0112
 Gamma2 Fr= 1--     -0.3623                 0.8279                 6.5974
 Delta2 Fr= 1--      0.0019                -0.1486                 0.7203
 Raman1 Fr= 1--      29.230                134.187                366.311
 ROA1   Fr= 1--     -34.719                 74.728                656.399
 CID1   Fr= 1--      -1.188                  0.557                  1.792
 Raman2 Fr= 1--      12.475                 51.113                 65.677
 ROA2   Fr= 1--      -8.710                 21.060                152.576
 CID2   Fr= 1--      -0.698                  0.412                  2.323
 Raman3 Fr= 1--      24.950                102.226                131.354
 ROA3   Fr= 1--     -34.719                 74.728                656.399
 CID3   Fr= 1--      -1.392                  0.731                  4.997
 RC180  Fr= 1--       0.707                  0.524                 -0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.02   0.04   0.01     0.03   0.00   0.00    -0.02  -0.07  -0.04
     3   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   1     0.24  -0.02   0.00     0.01   0.02  -0.02     0.18   0.83   0.52
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.04  -0.30  -0.06    -0.22  -0.01  -0.01     0.00  -0.00  -0.00
     7   1     0.00  -0.01  -0.01    -0.00   0.01   0.04    -0.04  -0.00  -0.01
     8   1     0.01   0.01  -0.01    -0.03   0.00   0.00    -0.01  -0.06  -0.03
     9   1    -0.01  -0.00   0.01    -0.01  -0.01  -0.01     0.02  -0.02   0.01
    10   6     0.08   0.20   0.05     0.28   0.11   0.04     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.03    -0.28   0.04  -0.01     0.00  -0.00  -0.00
    12   6    -0.04   0.35   0.07     0.14   0.01   0.01     0.00   0.00   0.00
    13   6    -0.05  -0.21  -0.05    -0.25  -0.09  -0.04    -0.00   0.00   0.00
    14   6    -0.12   0.17   0.03     0.31  -0.06   0.01     0.00   0.00   0.00
    15   1    -0.29  -0.07  -0.03    -0.26  -0.30  -0.07    -0.00   0.00   0.00
    16   1    -0.22  -0.08  -0.03     0.28  -0.20  -0.02     0.00   0.00   0.00
    17   1     0.08  -0.47  -0.09     0.15   0.03   0.02    -0.00   0.00  -0.00
    18   1     0.26  -0.00   0.02     0.20   0.25   0.07    -0.00   0.00  -0.00
    19   1     0.30   0.01   0.02    -0.35   0.22   0.03    -0.01  -0.02  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3041.5876              3111.8572              3115.3334
 Red. masses --      1.0337                 1.1030                 1.1023
 Frc consts  --      5.6345                 6.2928                 6.3032
 IR Inten    --     16.5469                25.2980                20.0056
 RamAct Fr= 1--    186.8384                81.2257                66.8591
  Dep-P Fr= 1--      0.0269                 0.5805                 0.7125
  Dep-U Fr= 1--      0.0523                 0.7346                 0.8321
 Alpha2 Fr= 1--      3.8986                 0.2582                 0.0433
 Beta2  Fr= 1--      1.6286                 9.9441                 9.2727
 AlphaG Fr= 1--     -0.0366                -0.0694                 0.0427
 Gamma2 Fr= 1--      0.9559                -3.9887                 1.7483
 Delta2 Fr= 1--     -0.2720                -6.8101                 6.8673
 Raman1 Fr= 1--     747.353                324.903                267.436
 ROA1   Fr= 1--      83.063               -600.841                387.590
 CID1   Fr= 1--       0.111                 -1.849                  1.449
 Raman2 Fr= 1--      19.544                119.329                111.273
 ROA2   Fr= 1--      25.118                -41.249                -12.979
 CID2   Fr= 1--       1.285                 -0.346                 -0.117
 Raman3 Fr= 1--      39.087                238.659                222.546
 ROA3   Fr= 1--      83.063               -600.841                387.590
 CID3   Fr= 1--       2.125                 -2.518                  1.742
 RC180  Fr= 1--      -0.895                  0.469                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   1    -0.00  -0.00  -0.00     0.01   0.07   0.04     0.00   0.02   0.02
     5   6    -0.02   0.00   0.04    -0.06  -0.07  -0.03     0.06  -0.07   0.03
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   1     0.58   0.08   0.07     0.64   0.07   0.07    -0.47  -0.08  -0.05
     8   1    -0.11  -0.50  -0.31     0.11   0.62   0.39     0.06   0.22   0.15
     9   1    -0.21   0.42  -0.26    -0.06   0.09  -0.07    -0.31   0.65  -0.41
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3157.9221              3168.8522              3178.6958
 Red. masses --      1.0868                 1.0862                 1.0902
 Frc consts  --      6.3858                 6.4265                 6.4900
 IR Inten    --      7.6796                 0.1090                14.5037
 RamAct Fr= 1--     50.7750                92.3741                98.6873
  Dep-P Fr= 1--      0.4526                 0.6465                 0.6581
  Dep-U Fr= 1--      0.6231                 0.7853                 0.7938
 Alpha2 Fr= 1--      0.3081                 0.1720                 0.1620
 Beta2  Fr= 1--      5.2731                12.0903                13.0566
 AlphaG Fr= 1--     -0.0524                -0.0444                -0.0101
 Gamma2 Fr= 1--     -0.2203                 0.8368                -1.2526
 Delta2 Fr= 1--      0.2254                 0.4381                -0.4958
 Raman1 Fr= 1--     203.100                369.496                394.749
 ROA1   Fr= 1--     -13.937                 94.354               -136.117
 CID1   Fr= 1--      -0.069                  0.255                 -0.345
 Raman2 Fr= 1--      63.278                145.084                156.679
 ROA2   Fr= 1--      -7.090                 16.578                -26.097
 CID2   Fr= 1--      -0.112                  0.114                 -0.167
 Raman3 Fr= 1--     126.555                290.167                313.358
 ROA3   Fr= 1--     -13.937                 94.354               -136.117
 CID3   Fr= 1--      -0.110                  0.325                 -0.434
 RC180  Fr= 1--       0.246                  0.571                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   1     0.01   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00   0.00    -0.02   0.02   0.00    -0.02   0.03   0.00
    11   6    -0.00  -0.01  -0.00    -0.02  -0.05  -0.01    -0.01  -0.03  -0.01
    12   6     0.01   0.00   0.00     0.04   0.01   0.00    -0.04  -0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.04  -0.01
    14   6    -0.03  -0.07  -0.02     0.01   0.02   0.01    -0.01  -0.02  -0.01
    15   1     0.03  -0.04  -0.01     0.20  -0.25  -0.04     0.25  -0.32  -0.05
    16   1     0.04   0.11   0.03     0.26   0.62   0.15     0.16   0.39   0.09
    17   1    -0.17  -0.02  -0.02    -0.53  -0.07  -0.05     0.41   0.05   0.04
    18   1     0.24  -0.32  -0.05     0.12  -0.15  -0.02    -0.38   0.49   0.08
    19   1     0.33   0.80   0.20    -0.11  -0.27  -0.07     0.11   0.26   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3188.2761              3195.5658              3792.7286
 Red. masses --      1.0927                 1.0973                 1.0661
 Frc consts  --      6.5445                 6.6017                 9.0355
 IR Inten    --     18.2977                12.4077                20.4374
 RamAct Fr= 1--     21.4328               330.5380                69.1015
  Dep-P Fr= 1--      0.5270                 0.0892                 0.1763
  Dep-U Fr= 1--      0.6903                 0.1638                 0.2997
 Alpha2 Fr= 1--      0.0927                 5.9414                 0.9987
 Beta2  Fr= 1--      2.4657                 9.0253                 3.4515
 AlphaG Fr= 1--     -0.0604                 0.0269                -0.8758
 Gamma2 Fr= 1--     -0.1317                 0.0460                -5.6512
 Delta2 Fr= 1--     -1.7885                 0.7140                -0.9347
 Raman1 Fr= 1--      85.731               1322.152                276.406
 ROA1   Fr= 1--     -69.873                 27.265               -572.424
 CID1   Fr= 1--      -0.815                  0.021                 -2.071
 Raman2 Fr= 1--      29.589                108.304                 41.418
 ROA2   Fr= 1--      11.147                 -4.608               -128.150
 CID2   Fr= 1--       0.377                 -0.043                 -3.094
 Raman3 Fr= 1--      59.177                216.607                 82.837
 ROA3   Fr= 1--     -69.873                 27.265               -572.424
 CID3   Fr= 1--      -1.181                  0.126                 -6.910
 RC180  Fr= 1--       0.381                 -0.672                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.05
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.45  -0.16   0.88
     4   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.04  -0.05  -0.01     0.03  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6     0.03   0.01   0.00    -0.05  -0.01  -0.00     0.00  -0.00   0.00
    13   6     0.03  -0.03  -0.01    -0.02   0.03   0.01     0.00   0.00  -0.00
    14   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.44   0.56   0.09    -0.28   0.35   0.05    -0.00  -0.00  -0.00
    16   1     0.09   0.21   0.05     0.19   0.46   0.11     0.00   0.00   0.00
    17   1    -0.39  -0.05  -0.04     0.59   0.07   0.05     0.00  -0.00   0.00
    18   1    -0.30   0.38   0.06     0.24  -0.31  -0.05     0.00  -0.00  -0.00
    19   1     0.06   0.14   0.03    -0.04  -0.10  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   517.510441627.663341835.40748
           X            0.99984   0.01236  -0.01287
           Y           -0.01215   0.99980   0.01611
           Z            0.01306  -0.01595   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16737     0.05321     0.04719
 Rotational constants (GHZ):           3.48735     1.10879     0.98329
 Zero-point vibrational energy     422585.9 (Joules/Mol)
                                  101.00045 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     61.88   184.99   299.70   363.95   441.33
          (Kelvin)            475.88   526.53   597.19   699.33   793.80
                              892.49   917.68  1029.55  1119.61  1124.66
                             1241.26  1320.38  1340.93  1394.30  1415.45
                             1451.95  1476.44  1515.75  1540.25  1585.96
                             1624.57  1704.65  1729.09  1758.62  1841.97
                             1898.41  1949.16  1995.11  2005.73  2033.05
                             2136.52  2144.76  2153.22  2205.23  2345.39
                             2372.76  4287.54  4376.17  4477.27  4482.27
                             4543.55  4559.27  4573.43  4587.22  4597.71
                             5456.89
 
 Zero-point correction=                           0.160954 (Hartree/Particle)
 Thermal correction to Energy=                    0.169314
 Thermal correction to Enthalpy=                  0.170258
 Thermal correction to Gibbs Free Energy=         0.127601
 Sum of electronic and zero-point Energies=           -386.117534
 Sum of electronic and thermal Energies=              -386.109175
 Sum of electronic and thermal Enthalpies=            -386.108231
 Sum of electronic and thermal Free Energies=         -386.150888
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.246             32.149             89.780
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.826
 Vibrational            104.468             26.187             20.641
 Vibration     1          0.595              1.980              5.116
 Vibration     2          0.611              1.925              2.967
 Vibration     3          0.642              1.828              2.059
 Vibration     4          0.664              1.758              1.710
 Vibration     5          0.697              1.661              1.380
 Vibration     6          0.713              1.614              1.256
 Vibration     7          0.739              1.542              1.097
 Vibration     8          0.778              1.438              0.909
 Vibration     9          0.842              1.281              0.694
 Vibration    10          0.907              1.136              0.541
 Vibration    11          0.980              0.989              0.416
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.203176D-58        -58.692129       -135.143620
 Total V=0       0.219643D+16         15.341717         35.325609
 Vib (Bot)       0.861060D-72        -72.064966       -165.935718
 Vib (Bot)    1  0.480987D+01          0.682133          1.570670
 Vib (Bot)    2  0.158612D+01          0.200336          0.461290
 Vib (Bot)    3  0.954148D+00         -0.020384         -0.046936
 Vib (Bot)    4  0.770463D+00         -0.113248         -0.260763
 Vib (Bot)    5  0.617618D+00         -0.209280         -0.481886
 Vib (Bot)    6  0.564650D+00         -0.248221         -0.571550
 Vib (Bot)    7  0.498856D+00         -0.302025         -0.695439
 Vib (Bot)    8  0.424629D+00         -0.371990         -0.856539
 Vib (Bot)    9  0.342292D+00         -0.465603         -1.072090
 Vib (Bot)   10  0.283972D+00         -0.546724         -1.258880
 Vib (Bot)   11  0.235674D+00         -0.627689         -1.445307
 Vib (V=0)       0.930849D+02          1.968879          4.533512
 Vib (V=0)    1  0.533579D+01          0.727198          1.674436
 Vib (V=0)    2  0.216306D+01          0.335069          0.771524
 Vib (V=0)    3  0.157722D+01          0.197892          0.455663
 Vib (V=0)    4  0.141848D+01          0.151825          0.349589
 Vib (V=0)    5  0.129464D+01          0.112149          0.258232
 Vib (V=0)    6  0.125421D+01          0.098369          0.226504
 Vib (V=0)    7  0.120630D+01          0.081455          0.187556
 Vib (V=0)    8  0.115598D+01          0.062950          0.144948
 Vib (V=0)    9  0.110594D+01          0.043732          0.100696
 Vib (V=0)   10  0.107501D+01          0.031414          0.072333
 Vib (V=0)   11  0.105276D+01          0.022329          0.051414
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.445096D+06          5.648454         13.006045
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333  3 2                                           11 1111111111111111111                                  
     7                1111111  0 9                                           66 54444333322211100009999 877  7 66 5 4  4333 2 2 1    
     9                9876511  4 8                                           43 39981985182082075208631 687  1 32 5 8  1630 5 0 2  4 
     3                6899852  2 0                                           90 37153475902259214694928 328  6 80 2 6  5617 3 8 9  3 
 
     X                XXXXXXX  X X                                           XX XXXXXXXXXXXXXXXXXXXX XX XXX  X XX X X  XXXX X X X  X 
     X                XXX XXX  X X                                              X X XX  XX   XXX  X   X   X  X  X X     XX           
     X                XXX  XX  X X                                                X XX  XX   XXX  X       X  X    X     XX           
     X                 X   XX    X                                                   X  XX    XX  X       X  X    X     XX           
                            X    X                                                   X   X    X   X       X  X          XX           
                                 X                                                   X   X    X   X          X          XX           
                                 X                                                       X    X   X          X          XX           
                                 X                                                       X        X          X          XX           
                                 X                                                       X        X          X           X           
                                                                                         X                               X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000008896    0.000001307   -0.000000556
      2        6           0.000011671   -0.000009850    0.000001709
      3        1           0.000002840   -0.000003502    0.000002386
      4        1          -0.000005052    0.000001867   -0.000001673
      5        6          -0.000001543    0.000001372   -0.000005005
      6        6          -0.000004773    0.000028650    0.000007567
      7        1          -0.000000092    0.000001046    0.000001724
      8        1          -0.000000484    0.000002188   -0.000002097
      9        1          -0.000000036    0.000002000   -0.000001939
     10        6          -0.000017629   -0.000018327   -0.000005287
     11        6           0.000023488   -0.000010615   -0.000000843
     12        6          -0.000004549    0.000025099    0.000005038
     13        6          -0.000022285   -0.000014946   -0.000004968
     14        6           0.000028933   -0.000010463    0.000001388
     15        1           0.000002584    0.000001650   -0.000000070
     16        1          -0.000002717    0.000000792   -0.000001915
     17        1          -0.000000444   -0.000002946    0.000000929
     18        1           0.000001874    0.000002784    0.000001341
     19        1          -0.000002889    0.000001894    0.000002274
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028933 RMS     0.000009456
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125803D+03  0.823309D+00  0.617271D+00
      2   0.823309D+00  0.102448D+03  0.518544D+01
      3   0.617271D+00  0.518544D+01  0.723694D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122543D+01  0.621908D+01  0.450613D+01
      2   0.154861D+01  0.125460D+02 -0.616750D+01
      3  -0.758272D+01 -0.403973D+02 -0.122241D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.943085D+02  0.433206D+01  0.500864D+01
      2  -0.323980D+02 -0.116189D+02 -0.150683D+02
      3  -0.619106D+02  0.728686D+01  0.100597D+02
      4  -0.137777D+02  0.807362D+02  0.289444D+02
      5   0.316282D+02  0.300303D+02 -0.193007D+02
      6   0.118057D+02  0.101935D+02 -0.695784D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.594880D+01  0.214289D+01 -0.115487D+01  0.352687D+01 -0.229481D+01
      2   0.214289D+01 -0.118194D+01  0.175930D+01 -0.229481D+01  0.145744D+01
      3  -0.115487D+01  0.175930D+01 -0.339791D+01  0.133298D+01 -0.152558D+01
                 6             7             8             9            10 
      1   0.133298D+01  0.570764D+00  0.878047D+00 -0.268869D+01  0.451408D+01
      2  -0.152558D+01  0.878047D+00  0.979991D+00 -0.416096D+00  0.172410D+00
      3   0.732311D-01 -0.268869D+01 -0.416096D+00  0.318194D+01 -0.119948D+01
                11            12            13            14            15 
      1   0.172410D+00 -0.119948D+01  0.892593D-01  0.276664D+01 -0.134446D+01
      2   0.673331D+00 -0.118309D+01  0.276664D+01  0.395755D+01  0.379653D+01
      3  -0.118309D+01  0.210172D+01 -0.134446D+01  0.379653D+01  0.110174D+01
                16            17            18            19            20 
      1  -0.446619D+01 -0.127365D+01  0.478846D+01  0.980687D+00  0.745683D-01
      2  -0.127365D+01  0.238938D+01  0.178002D+01  0.745683D-01  0.500554D+00
      3   0.478846D+01  0.178002D+01 -0.150286D+01 -0.572242D+00 -0.920439D+00
                21            22            23            24            25 
      1  -0.572242D+00  0.110151D+00 -0.185909D+00 -0.142038D+00 -0.145963D+01
      2  -0.920439D+00 -0.185909D+00  0.115793D+01 -0.106735D+01 -0.568147D-02
      3   0.233304D+01 -0.142038D+00 -0.106735D+01  0.126794D+01  0.239653D+00
                26            27            28            29            30 
      1  -0.568147D-02  0.239653D+00 -0.551560D+00 -0.149370D+01 -0.658916D+00
      2  -0.162388D+01  0.193753D+01 -0.149370D+01 -0.100172D+01 -0.363164D+00
      3   0.193753D+01 -0.661242D+01 -0.658916D+00 -0.363164D+00 -0.905861D+00
                31            32            33            34            35 
      1  -0.287436D+01 -0.200426D+01 -0.588038D+00 -0.652523D+00 -0.604400D+00
      2  -0.200426D+01 -0.584614D+01 -0.228621D+01 -0.604400D+00 -0.226201D+01
      3  -0.588038D+00 -0.228621D+01 -0.230207D+01 -0.136056D+01 -0.204139D+01
                36            37            38            39            40 
      1  -0.136056D+01  0.888661D+01  0.160812D+01  0.384245D+00  0.144708D+01
      2  -0.204139D+01  0.160812D+01 -0.178209D+01  0.938419D+00 -0.161219D+01
      3  -0.229180D+01  0.384245D+00  0.938419D+00 -0.272523D+01  0.108655D+01
                41            42            43            44            45 
      1  -0.161219D+01  0.108655D+01  0.552420D+01  0.142107D+01 -0.404709D+01
      2  -0.312932D+00 -0.428663D+01  0.142107D+01 -0.335621D+01 -0.107773D+01
      3  -0.428663D+01 -0.608278D+00 -0.404709D+01 -0.107773D+01  0.111875D+01
                46            47            48            49            50 
      1  -0.164771D+02 -0.177458D+01  0.126844D+00 -0.346037D+01  0.133706D+01
      2  -0.177458D+01 -0.256007D+01  0.193269D+00  0.133706D+01 -0.433172D+00
      3   0.126844D+00  0.193269D+00 -0.212430D+01  0.105659D+01 -0.273981D+00
                51            52            53            54            55 
      1   0.105659D+01 -0.917174D+00  0.104152D+01 -0.387610D+01 -0.139646D+02
      2  -0.273981D+00  0.104152D+01 -0.521213D+00 -0.520031D+00 -0.168777D+01
      3  -0.173657D+00 -0.387610D+01 -0.520031D+00 -0.563555D+00  0.142866D+01
                56            57            58            59            60 
      1  -0.168777D+01  0.142866D+01 -0.153939D+01 -0.154917D+01  0.135400D+00
      2  -0.115460D+01  0.183222D+00 -0.154917D+01 -0.579866D+00  0.580124D+00
      3   0.183222D+00 -0.147114D+01  0.135400D+00  0.580124D+00 -0.225182D+00
                61            62            63            64            65 
      1  -0.123463D+01 -0.236253D+00 -0.843429D+00 -0.562788D+00  0.712858D+00
      2  -0.236253D+00  0.106331D+00 -0.103758D+00  0.712858D+00  0.412847D+00
      3  -0.843429D+00 -0.103758D+00 -0.202769D+00  0.363054D+00  0.213106D-01
                66            67            68            69            70 
      1   0.363054D+00  0.184481D+01 -0.803950D-01 -0.782926D+00  0.678436D+00
      2   0.213106D-01 -0.803950D-01  0.374322D+01  0.243568D+01 -0.320717D+00
      3   0.819709D+00 -0.782926D+00  0.243568D+01  0.301666D+01 -0.112423D+00
                71            72            73            74            75 
      1  -0.320717D+00 -0.112423D+00  0.110933D+00 -0.102794D+01  0.546425D+00
      2   0.205136D+01  0.175033D+01 -0.102794D+01  0.119788D+01 -0.757794D+00
      3   0.175033D+01  0.332802D+01  0.546425D+00 -0.757794D+00  0.144778D+01
                76            77            78            79            80 
      1  -0.154963D+01  0.307370D+00 -0.286371D-01  0.316956D+00 -0.184744D+00
      2   0.307370D+00 -0.422591D+01  0.273042D+01 -0.184744D+00  0.214062D+01
      3  -0.286371D-01  0.273042D+01 -0.250869D+01  0.402518D+00 -0.188561D+01
                81            82            83            84            85 
      1   0.402518D+00  0.364746D+01 -0.786933D+00  0.163328D+00  0.767769D+01
      2  -0.188561D+01 -0.786933D+00 -0.287133D+01 -0.490884D+00  0.238548D-01
      3   0.303277D+01  0.163328D+00 -0.490884D+00 -0.158768D+01  0.369625D+00
                86            87            88            89            90 
      1   0.238548D-01  0.369625D+00  0.238984D+01 -0.589136D-01 -0.173319D+01
      2   0.146146D+01 -0.805912D+00 -0.589136D-01 -0.150669D+01  0.299283D+01
      3  -0.805912D+00  0.179040D+01 -0.173319D+01  0.299283D+01  0.100209D+01
                91            92            93            94            95 
      1  -0.372808D+01 -0.380150D+00 -0.139337D+00  0.466980D+01  0.125520D-01
      2  -0.380150D+00  0.200138D+01 -0.390877D+00  0.125520D-01  0.985737D+00
      3  -0.139337D+00 -0.390877D+00  0.841200D+00 -0.337059D+00 -0.973714D+00
                96            97            98            99           100 
      1  -0.337059D+00  0.450213D+00 -0.775203D+00  0.176905D+01  0.485630D+01
      2  -0.973714D+00 -0.775203D+00 -0.129334D+01  0.332212D+01  0.244823D+00
      3   0.167040D+01  0.176905D+01  0.332212D+01  0.231899D+01 -0.494628D+00
               101           102           103           104           105 
      1   0.244823D+00 -0.494628D+00  0.727271D+00 -0.668559D-01 -0.101253D+01
      2   0.312656D+01  0.122163D+00 -0.668559D-01  0.271587D+00 -0.516586D+00
      3   0.122163D+00  0.247489D+01 -0.101253D+01 -0.516586D+00  0.144901D+00
               106           107           108           109           110 
      1  -0.857260D-01 -0.109426D+01  0.501136D+01 -0.220831D+01 -0.670415D+00
      2  -0.109426D+01  0.617783D-01  0.447458D+00 -0.670415D+00  0.224744D+01
      3   0.501136D+01  0.447458D+00  0.840515D+00 -0.428510D+00  0.695102D+00
               111           112           113           114           115 
      1  -0.428510D+00 -0.499842D+01 -0.957038D+00 -0.976700D+00 -0.147061D+01
      2   0.695102D+00 -0.957038D+00 -0.909768D+00  0.110098D+01 -0.658292D+00
      3   0.157139D+01 -0.976700D+00  0.110098D+01 -0.160479D+01  0.261407D+01
               116           117           118           119           120 
      1  -0.658292D+00  0.261407D+01  0.503887D+01  0.228792D+01  0.792451D+00
      2   0.160336D+01 -0.282687D+01  0.228792D+01 -0.198826D+01 -0.120445D+00
      3  -0.282687D+01 -0.112017D+01  0.792451D+00 -0.120445D+00 -0.738017D+00
               121           122           123           124           125 
      1  -0.623612D+01 -0.497909D+00  0.186828D+00 -0.449982D+00  0.947706D+00
      2  -0.497909D+00 -0.152020D+01  0.112916D+01  0.947706D+00  0.123574D+01
      3   0.186828D+00  0.112916D+01 -0.172615D+01 -0.792759D+00 -0.328769D+01
               126           127           128           129           130 
      1  -0.792759D+00 -0.333669D+01  0.230931D+01  0.302407D+00  0.235925D+01
      2  -0.328769D+01  0.230931D+01 -0.271137D+01 -0.234344D+00 -0.283253D+01
      3  -0.267392D+01  0.302407D+00 -0.234344D+00 -0.532493D+00 -0.466698D+00
               131           132           133           134           135 
      1  -0.283253D+01 -0.466698D+00  0.306433D+00 -0.434274D+00 -0.765490D-01
      2   0.590948D+01  0.791448D+00 -0.434274D+00  0.106893D+01  0.276088D+00
      3   0.791448D+00  0.893938D+00 -0.765490D-01  0.276088D+00  0.227264D+00
               136           137           138           139           140 
      1   0.230043D+01  0.263184D+01  0.650981D+00  0.225607D+01  0.366505D+01
      2   0.263184D+01  0.279075D+01  0.639388D+00  0.366505D+01  0.927597D+01
      3   0.650981D+00  0.639388D+00  0.535237D+00  0.810019D+00  0.188699D+01
               141           142           143           144           145 
      1   0.810019D+00  0.651463D+00  0.969710D+00  0.307647D+00  0.132182D+02
      2   0.188699D+01  0.969710D+00  0.214237D+01  0.651518D+00  0.124849D+01
      3   0.135366D+01  0.307647D+00  0.651518D+00  0.441068D+00  0.961537D+00
               146           147           148           149           150 
      1   0.124849D+01  0.961537D+00  0.109348D+01  0.166675D+01  0.398661D+00
      2   0.916682D+00  0.501067D-01  0.166675D+01  0.472352D+00  0.150043D+00
      3   0.501067D-01  0.110163D+01  0.398661D+00  0.150043D+00  0.160860D+00
               151           152           153           154           155 
      1   0.100837D+01  0.399361D+00  0.247611D+00  0.489153D+01 -0.380873D+01
      2   0.399361D+00  0.117059D+00  0.412845D-01 -0.380873D+01  0.351225D+01
      3   0.247611D+00  0.412845D-01  0.147589D+00 -0.585482D+00  0.416008D+00
               156           157           158           159           160 
      1  -0.585482D+00 -0.362345D+01  0.433626D+01  0.786881D+00 -0.597009D+00
      2   0.416008D+00  0.433626D+01 -0.658011D+01 -0.100771D+01  0.691164D+00
      3   0.682784D+00  0.786881D+00 -0.100771D+01 -0.994621D+00  0.278093D+00
               161           162           163           164           165 
      1   0.691164D+00  0.278093D+00 -0.166705D+01 -0.180300D+01 -0.486470D+00
      2  -0.126236D+01 -0.384953D+00 -0.180300D+01 -0.212828D+01 -0.557247D+00
      3  -0.384953D+00 -0.243823D+00 -0.486470D+00 -0.557247D+00 -0.426746D+00
               166           167           168           169           170 
      1  -0.151998D+01 -0.203447D+01 -0.484446D+00 -0.563201D+00 -0.702178D+00
      2  -0.203447D+01 -0.828462D+01 -0.185771D+01 -0.702178D+00 -0.207122D+01
      3  -0.484446D+00 -0.185771D+01 -0.133028D+01 -0.127666D+00 -0.655050D+00
               171 
      1  -0.127666D+00
      2  -0.655050D+00
      3  -0.427676D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.832016D-01  0.266064D+01  0.233914D+01  0.408266D+00 -0.324162D+01
      2  -0.389703D+01 -0.349421D+01  0.128582D+02 -0.135954D+00  0.103427D+01
      3   0.359056D+01 -0.955095D+01  0.529676D+01 -0.270857D+01  0.565117D+01
                 6             7             8             9            10 
      1  -0.275072D+01 -0.953846D+00  0.416765D+01 -0.450415D+01 -0.110497D+01
      2   0.545442D+00  0.485229D+01  0.326072D+01 -0.967880D+01  0.373871D+01
      3  -0.301115D+01  0.249206D+01  0.747691D+00 -0.330482D+01 -0.189506D+01
                11            12            13            14            15 
      1  -0.458727D+00  0.577538D-01  0.154888D+01  0.318256D+01 -0.653464D+00
      2   0.173191D+01 -0.236365D+01  0.568390D+00 -0.749842D+01 -0.217658D+01
      3   0.857498D+00 -0.563612D+00  0.124061D+02  0.520339D+01  0.905508D+01
                16            17            18            19            20 
      1   0.361746D+01  0.324679D+01 -0.118639D+01  0.473054D-01 -0.480257D+00
      2  -0.158492D+02 -0.468501D+01  0.263706D+01  0.496031D+01  0.200198D+01
      3   0.579771D+00  0.898449D+01  0.101837D+01  0.194458D+01  0.199168D+01
                21            22            23            24            25 
      1  -0.181769D+01 -0.220077D+00 -0.126785D+00 -0.112940D+01 -0.776879D+00
      2  -0.606065D+01  0.330323D+00  0.224913D+01 -0.343738D+01 -0.457351D+01
      3  -0.286064D+01  0.163517D+01  0.234621D+01 -0.231293D+01 -0.112817D+01
                26            27            28            29            30 
      1   0.853277D+00  0.405965D+01 -0.341657D+00 -0.151056D+00 -0.907376D+00
      2  -0.513760D+01  0.158066D+02  0.105292D+01  0.234601D+00  0.231139D+01
      3  -0.337480D+01  0.711595D+01 -0.369413D+01 -0.221947D+01 -0.381636D+00
                31            32            33            34            35 
      1  -0.373715D+00  0.765629D+00 -0.332617D+01 -0.779371D+00  0.414522D+00
      2  -0.357845D+00  0.403668D+01  0.440538D+01  0.708541D+00  0.297356D+01
      3   0.109635D+01 -0.116263D+02 -0.466095D+01  0.107235D+00 -0.447128D+01
                36            37            38            39            40 
      1  -0.205184D+01  0.289412D+01 -0.342555D+01 -0.597997D+00 -0.295808D-01
      2   0.392129D+01 -0.129363D+02 -0.449350D+01  0.105781D+02 -0.369669D+01
      3  -0.313808D+01  0.115722D+01 -0.958756D+01  0.153058D+01 -0.224767D+01
                41            42            43            44            45 
      1  -0.231767D+01 -0.101387D+02 -0.185361D+01 -0.467143D+01  0.687555D-01
      2   0.139103D+02  0.618612D+00  0.611774D+01  0.212382D+01  0.126765D+01
      3  -0.711174D-01 -0.142109D+02 -0.361941D+00 -0.130103D+02 -0.408370D-02
                46            47            48            49            50 
      1  -0.663061D+00  0.790840D-01  0.159253D+00 -0.120344D+01 -0.333127D+01
      2  -0.409482D+01 -0.778768D+00 -0.102720D+01 -0.110803D+01  0.902299D+00
      3   0.820991D+00  0.540604D+01  0.561972D+00  0.157938D+02  0.125714D+01
                51            52            53            54            55 
      1   0.130987D+01 -0.493714D+00  0.917793D+01  0.199068D+01 -0.988437D+00
      2   0.221220D+00 -0.135415D+02  0.202248D+00 -0.234028D+00  0.108251D+02
      3  -0.152987D+01  0.133136D+00 -0.171891D+00  0.446870D+00  0.278999D+01
                56            57            58            59            60 
      1  -0.176374D+01 -0.107296D+01 -0.167402D+01 -0.172019D+00 -0.176331D+00
      2   0.133176D+01  0.578501D+01  0.143439D+01 -0.305760D+00  0.866437D+00
      3  -0.536251D+01 -0.228132D+00 -0.224035D+01 -0.902776D+00  0.160448D+01
                61            62            63            64            65 
      1  -0.586478D+00  0.983850D+00 -0.312065D+00  0.160667D+01  0.137648D+01
      2   0.160382D+01  0.214243D+00  0.150839D+01 -0.149590D+01 -0.119624D+01
      3  -0.168279D+00  0.126650D+01  0.303662D+00  0.264087D+01  0.119508D+01
                66            67            68            69            70 
      1   0.227740D+00  0.549000D+00  0.797356D+01  0.310070D+01 -0.978579D-01
      2  -0.204658D+01 -0.163136D+01 -0.719452D+01 -0.712503D+01 -0.222261D+01
      3   0.139099D+00  0.222657D+01  0.110048D+02  0.690003D+01 -0.333743D+00
                71            72            73            74            75 
      1   0.554323D+01  0.368232D+01 -0.146276D+01  0.213044D+01  0.469755D+00
      2  -0.456481D+01 -0.796101D+01 -0.316145D+01  0.298027D+01 -0.328404D+01
      3   0.588646D+01  0.480290D+01 -0.407285D+01  0.368273D+01 -0.205205D+01
                76            77            78            79            80 
      1   0.112395D+01 -0.483386D+01  0.541853D+00  0.305274D+00  0.342773D+01
      2   0.304647D+01 -0.792895D+01  0.625101D+01 -0.326151D+01  0.508243D+01
      3   0.439440D+01 -0.107859D+02  0.706699D+01 -0.880887D+00  0.556681D+01
                81            82            83            84            85 
      1  -0.423034D+00 -0.187337D-01 -0.601446D-01  0.249557D+01 -0.803370D+00
      2  -0.769998D+01  0.174728D+01  0.597500D+00 -0.132831D+01  0.341783D+01
      3  -0.532882D+01  0.712531D+00 -0.651699D+00  0.353043D+00  0.302696D+01
                86            87            88            89            90 
      1   0.261437D+00 -0.246868D+01  0.649197D+01  0.368808D+01  0.944082D+00
      2   0.272348D+00  0.125634D+01 -0.119122D+02  0.305799D+00 -0.331855D+00
      3  -0.595517D+01  0.100456D+01 -0.150687D+01 -0.177417D+00 -0.557462D+01
                91            92            93            94            95 
      1   0.307350D-01  0.953178D+00 -0.195795D+01  0.125549D+01 -0.100138D+00
      2  -0.510337D+00  0.227268D+01  0.113641D+01  0.111063D+01 -0.273552D+01
      3   0.180102D+01 -0.123675D+02 -0.204263D+01  0.365853D+01 -0.594998D+00
                96            97            98            99           100 
      1  -0.239170D+01 -0.450907D+01  0.972372D+00 -0.122737D+01  0.282954D+00
      2   0.394261D+01 -0.746629D+01  0.779930D+01  0.427662D+01  0.174390D+00
      3   0.175913D+01  0.494235D-01  0.297277D+01 -0.411349D+01 -0.201807D+01
               101           102           103           104           105 
      1  -0.603471D+00 -0.793186D+00 -0.105309D+01 -0.248185D+01  0.106071D+01
      2  -0.295466D+00  0.644209D+01 -0.423583D+01  0.178045D+00  0.904953D+00
      3  -0.633397D+01  0.755161D-01  0.107631D+02 -0.175365D+01  0.100027D+01
               106           107           108           109           110 
      1  -0.198801D+01  0.105482D+02  0.268996D+01 -0.300494D+00 -0.462388D+00
      2   0.629605D+01  0.219516D+01  0.155562D+01 -0.992269D+00  0.149495D+01
      3   0.316594D+01  0.341461D+00 -0.729603D+00  0.359504D+01 -0.948768D+01
               111           112           113           114           115 
      1   0.236467D+01 -0.121392D+01 -0.118185D+00 -0.157818D+01  0.611563D+01
      2   0.270171D+01 -0.954960D+00  0.277218D+01 -0.458656D+01 -0.350823D+01
      3  -0.156065D+01  0.726110D+01  0.134013D+01 -0.177353D+01  0.414121D+00
               116           117           118           119           120 
      1   0.351075D+01  0.993369D+00  0.467479D-01  0.103911D+01 -0.164191D+01
      2  -0.903666D+01 -0.302574D+01  0.338126D+01  0.185313D+01 -0.803357D+00
      3  -0.276381D+01  0.402847D+01 -0.543883D+01 -0.440685D+01 -0.220439D+01
               121           122           123           124           125 
      1   0.102240D+01  0.838518D+00 -0.254164D+01 -0.466340D+01  0.162683D+01
      2   0.137881D+01 -0.320188D+00 -0.136948D+01 -0.130047D+02 -0.121425D+01
      3   0.361898D+01  0.571350D+01 -0.155597D+00 -0.216627D+01 -0.161145D+01
               126           127           128           129           130 
      1  -0.451351D+00 -0.989901D-01 -0.777768D+00  0.230166D+01  0.998463D-01
      2  -0.287101D+01  0.160777D+01 -0.789080D+00  0.564534D+00 -0.621028D+00
      3   0.465714D+01 -0.870704D+01  0.367393D+01  0.544708D+00  0.621601D+01
               131           132           133           134           135 
      1  -0.897397D-01 -0.305060D+01 -0.832575D-01  0.171696D+01 -0.140472D+00
      2   0.110062D+01 -0.103042D+01 -0.180800D+01  0.502296D+00 -0.230552D+00
      3  -0.517379D+01 -0.111633D+01  0.115448D+00 -0.898856D+00 -0.246090D+00
               136           137           138           139           140 
      1  -0.179377D+00  0.356852D-01 -0.168725D+01 -0.176875D+00  0.467169D+00
      2   0.256206D+00  0.461906D+00  0.157788D+01  0.472223D+00  0.265361D+01
      3  -0.686693D+00 -0.214584D+01 -0.326619D+00 -0.127048D+01 -0.132662D+02
               141           142           143           144           145 
      1  -0.429703D+01  0.565038D+00  0.183168D+01 -0.681597D+00 -0.997022D-01
      2   0.337845D+01 -0.433796D+00  0.238873D+00  0.897664D+00  0.119296D+01
      3  -0.245065D+01 -0.534445D+00 -0.312834D+01 -0.767084D+00 -0.723697D+00
               146           147           148           149           150 
      1   0.354131D+00 -0.588983D+00  0.235967D-01 -0.265357D-01 -0.375232D+00
      2  -0.753585D-01  0.633393D+01  0.154323D+01  0.378037D+00  0.885807D+00
      3  -0.526561D+01  0.124062D+00 -0.387281D+01 -0.131920D+01 -0.398662D+00
               151           152           153           154           155 
      1   0.370357D+00  0.649107D+00  0.436965D-01  0.191061D+00 -0.624939D+00
      2  -0.235967D+01 -0.123326D+00  0.364352D+00  0.426742D-01 -0.110160D+00
      3  -0.105755D+01 -0.700654D+00 -0.718138D-01  0.148047D+01 -0.451693D+01
               156           157           158           159           160 
      1   0.220992D+01  0.294926D+00  0.148242D+00 -0.328251D+01 -0.741740D+00
      2   0.280150D+01  0.839830D+00 -0.141676D+01 -0.354476D+01 -0.633489D+00
      3  -0.158235D+00 -0.336868D+01  0.108450D+02  0.131169D+01 -0.104827D+01
               161           162           163           164           165 
      1   0.139102D+01 -0.304078D+00  0.753886D-01  0.179309D+00 -0.156015D+01
      2   0.180448D+00 -0.439201D+00 -0.158264D+01 -0.113716D+01  0.661247D-02
      3   0.228088D+01  0.450404D+00  0.628523D+01  0.387175D+01  0.116512D+01
               166           167           168           169           170 
      1   0.112924D+00  0.611812D+00 -0.403636D+01  0.479375D+00  0.213927D+01
      2  -0.140043D+01 -0.208745D+01 -0.605397D-02 -0.192265D+01 -0.733039D+00
      3   0.653049D+01  0.850358D+01  0.222736D+01  0.212929D+01  0.226172D+01
               171 
      1  -0.602447D+00
      2  -0.721735D-01
      3   0.454749D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270325D+02 -0.222374D+01 -0.235163D+01 -0.813499D+01  0.249235D+01
      2  -0.146819D+02 -0.717115D+00 -0.585679D+01  0.339519D+01  0.727390D+01
      3  -0.123506D+02  0.294085D+01  0.820842D+01  0.473980D+01 -0.976625D+01
      4  -0.147259D+02  0.155027D+02 -0.684472D+01  0.194303D+02 -0.123309D+02
      5   0.119700D+02 -0.811992D+01  0.224537D+02 -0.105384D+02  0.960168D+01
      6  -0.435053D+01  0.429338D+01 -0.667061D+01  0.694677D+01 -0.412943D+01
                 6             7             8             9            10 
      1  -0.467950D+01 -0.213052D+01 -0.247623D+01  0.165631D+02  0.593819D+01
      2   0.224173D+01 -0.286487D+01 -0.197483D+01 -0.539905D+01 -0.676574D+00
      3   0.243777D+01  0.499539D+01  0.445106D+01 -0.111640D+02 -0.526162D+01
      4   0.922879D+01 -0.539882D+01  0.586644D+00 -0.208614D+01  0.360495D+01
      5  -0.470253D+01  0.195825D+02 -0.661420D+00 -0.378442D+01  0.552276D+01
      6   0.652052D+01 -0.398665D+01  0.253908D+01  0.357176D+01  0.210941D+01
                11            12            13            14            15 
      1   0.187323D+01 -0.122298D+01  0.905613D+01  0.162979D+01  0.658496D+01
      2  -0.697944D-02 -0.234600D+01 -0.697394D+01 -0.790320D+01 -0.109525D+02
      3  -0.186625D+01  0.356898D+01 -0.208219D+01  0.627341D+01  0.436757D+01
      4  -0.953461D+01  0.447906D+01 -0.164773D+02 -0.151898D+02 -0.182742D+02
      5   0.464201D+01 -0.152735D+02  0.103816D+02 -0.172905D+02 -0.206123D+01
      6  -0.909416D+00 -0.365295D+00 -0.629169D+01 -0.895000D+01 -0.721916D+01
                16            17            18            19            20 
      1   0.569548D+01  0.580788D+01 -0.597241D+01 -0.354597D+01 -0.330009D+01
      2  -0.968668D+01 -0.528196D+01  0.733419D+01  0.513296D+00  0.445150D+00
      3   0.399120D+01 -0.525920D+00 -0.136178D+01  0.303267D+01  0.285494D+01
      4   0.978453D+01 -0.137013D+02 -0.786373D+01  0.340120D+00 -0.221536D+01
      5  -0.289507D+02 -0.761633D+01  0.551819D+01  0.134465D+01  0.197353D+01
      6  -0.553185D+01 -0.736191D+01  0.113416D+01 -0.816765D+00 -0.244164D+01
                21            22            23            24            25 
      1   0.100401D+02 -0.132613D+01 -0.446853D+01  0.419861D+01  0.682301D+01
      2   0.324516D+00  0.481332D-01  0.200566D+01 -0.982425D+00 -0.243609D+01
      3  -0.103646D+02  0.127800D+01  0.246287D+01 -0.321618D+01 -0.438692D+01
      4   0.117119D+01  0.193768D+01 -0.384690D+01  0.315065D+01 -0.209668D+01
      5  -0.552092D+01 -0.445162D+00  0.300323D+01 -0.463741D+01  0.290132D+01
      6   0.440455D+01 -0.103394D+00 -0.362265D+01  0.648241D+01  0.100057D+01
                26            27            28            29            30 
      1   0.573732D+01 -0.193555D+02  0.257789D+01  0.331435D+01  0.245622D+01
      2   0.355550D+00 -0.607776D+01  0.912994D+00 -0.484144D+00 -0.537178D+00
      3  -0.609287D+01  0.254332D+02 -0.349088D+01 -0.283021D+01 -0.191904D+01
      4   0.427729D+01 -0.567421D+01  0.868260D+01  0.962770D+01  0.337791D+01
      5  -0.695135D+01  0.213532D+02  0.437088D+01  0.337697D+01  0.689310D+01
      6   0.624542D+01 -0.113080D+02  0.421310D+01  0.190869D+01  0.155518D+01
                31            32            33            34            35 
      1   0.187395D+01 -0.924723D+01 -0.484188D+01  0.724342D+00 -0.485869D+01
      2   0.202544D+01  0.165774D+02  0.542242D+01  0.455470D+00  0.381206D+01
      3  -0.389938D+01 -0.733014D+01 -0.580538D+00 -0.117981D+01  0.104662D+01
      4   0.128709D+02  0.261014D+02  0.101084D+02  0.443984D+01  0.999745D+01
      5   0.414034D+01  0.992629D+01  0.100615D+02  0.881315D+01  0.863162D+01
      6   0.386971D+01  0.138091D+02  0.959051D+01  0.390541D+01  0.105874D+02
                36            37            38            39            40 
      1  -0.447367D+01 -0.567742D+02 -0.136487D+02  0.759864D+01 -0.126641D+02
      2   0.790840D+00  0.241439D+02  0.791344D+01  0.539497D+00  0.690201D+01
      3   0.368283D+01  0.326303D+02  0.573523D+01 -0.813814D+01  0.576205D+01
      4   0.902290D+01 -0.171151D+02  0.829593D+01 -0.288554D+01  0.679885D+01
      5   0.957098D+01  0.106635D+02 -0.404057D+00  0.126949D+02 -0.195095D+01
      6   0.905546D+01  0.336881D+01 -0.730029D+01  0.395040D+01 -0.321511D+01
                41            42            43            44            45 
      1   0.191023D+02 -0.471025D+01 -0.444311D+01 -0.633168D+01  0.140072D+02
      2  -0.427741D+01  0.919970D+01  0.109658D+02  0.918339D+01 -0.128814D+02
      3  -0.148249D+02 -0.448945D+01 -0.652270D+01 -0.285172D+01 -0.112580D+01
      4   0.487565D+01  0.186946D+02 -0.746237D+01  0.158113D+02  0.768898D+01
      5   0.138864D+02  0.522853D+01  0.240310D+02  0.742001D+01 -0.110584D+02
      6   0.242985D+01 -0.135966D+02  0.665498D+01 -0.102690D+02 -0.275153D+01
                46            47            48            49            50 
      1  -0.173492D+02 -0.209927D+01 -0.267850D+01  0.523863D+01 -0.113029D+02
      2   0.392804D+01  0.101424D+01 -0.542414D+00 -0.632997D+01  0.155873D+02
      3   0.134212D+02  0.108504D+01  0.322091D+01  0.109135D+01 -0.428445D+01
      4   0.255382D+01  0.401027D+01 -0.847872D+00 -0.125987D+02 -0.238456D+01
      5  -0.675991D+01 -0.137004D+01  0.232442D+01 -0.408878D+01  0.774238D+00
      6  -0.330868D+01  0.879030D+00  0.829161D+00 -0.383905D+01  0.571736D+01
                51            52            53            54            55 
      1  -0.125341D+01 -0.603571D+01 -0.232144D+01 -0.879535D+01  0.876104D+02
      2   0.641370D+01 -0.627001D+00  0.447667D+01 -0.386382D+01 -0.439242D+02
      3  -0.516029D+01  0.666271D+01 -0.215523D+01  0.126592D+02 -0.436862D+02
      4   0.590462D+00 -0.496844D+01  0.152271D+01  0.104949D+01  0.207683D+02
      5   0.550734D+00  0.452089D+01  0.100330D+01 -0.734068D+00 -0.270404D+02
      6  -0.198887D+01  0.528881D+00  0.528394D+01 -0.255856D+01 -0.388598D+01
                56            57            58            59            60 
      1   0.893145D+01 -0.467190D+01  0.742717D+01  0.651661D+01  0.452284D+00
      2  -0.287202D+01  0.581397D+01 -0.168749D+01 -0.247597D+01 -0.400808D+00
      3  -0.605942D+01 -0.114207D+01 -0.573967D+01 -0.404063D+01 -0.514763D-01
      4   0.124238D+02 -0.181479D+01  0.145519D+02  0.518976D+01 -0.287017D+01
      5  -0.321799D+01  0.134817D+02 -0.257622D+01 -0.410296D+01  0.153490D+01
      6  -0.288006D+01  0.208254D+01 -0.277722D+01 -0.139772D+01  0.310445D+01
                61            62            63            64            65 
      1   0.599276D+01  0.130491D+01  0.595685D+01  0.406668D+01 -0.276037D+01
      2  -0.489373D+00 -0.503567D+00 -0.357672D+01 -0.272845D+01  0.134867D+01
      3  -0.550338D+01 -0.801339D+00 -0.238012D+01 -0.133823D+01  0.141170D+01
      4   0.188654D+01 -0.551535D+00  0.157110D+01 -0.198415D+01 -0.337750D+00
      5   0.878250D+01  0.729385D+00 -0.567459D+00 -0.237782D+01  0.210919D+01
      6   0.125207D+01  0.211705D+01  0.292856D-01  0.249374D+01  0.177447D+01
                66            67            68            69            70 
      1  -0.500142D+01 -0.601216D+01 -0.885078D+01 -0.533258D+01 -0.308091D+01
      2   0.526588D+00  0.433129D+01  0.172501D+01 -0.523537D+01  0.233614D+01
      3   0.447483D+01  0.168087D+01  0.712577D+01  0.105679D+02  0.744773D+00
      4   0.523836D+00  0.253638D+01 -0.186598D+02 -0.118704D+02  0.190948D+01
      5  -0.311198D+00  0.762716D+01 -0.980254D+01 -0.135632D+02  0.409153D+01
      6  -0.743358D-01 -0.305469D+00  0.133821D+02  0.105776D+02 -0.957484D+00
                71            72            73            74            75 
      1  -0.433332D+01 -0.104029D+02 -0.120508D+01  0.884964D+01 -0.756548D+01
      2  -0.424353D+01 -0.564169D+01  0.129342D+01 -0.562034D+01  0.138366D+01
      3   0.857685D+01  0.160446D+02 -0.883473D-01 -0.322930D+01  0.618182D+01
      4  -0.100302D+02 -0.881150D+01  0.237974D+01 -0.195226D+01  0.913156D+00
      5  -0.746970D+01 -0.131344D+02  0.163993D+00 -0.897845D+00 -0.191676D+01
      6   0.979322D+01  0.819752D+01 -0.401045D+01  0.547373D+01 -0.463616D+01
                76            77            78            79            80 
      1   0.827378D+01 -0.182532D+02  0.116851D+02 -0.310750D+01  0.976071D+01
      2  -0.485868D+01  0.145148D+02 -0.431593D+01  0.517914D+00 -0.269588D+01
      3  -0.341511D+01  0.373837D+01 -0.736918D+01  0.258958D+01 -0.706483D+01
      4   0.292596D+01  0.158334D+02 -0.107998D+02 -0.723158D+00 -0.847984D+01
      5  -0.453954D+01 -0.793975D+01  0.812292D+01  0.189414D+01  0.575137D+01
      6   0.115501D+01 -0.177819D+02  0.148661D+02 -0.120631D+01  0.129062D+02
                81            82            83            84            85 
      1  -0.150110D+02 -0.113211D+01  0.165889D+02  0.420472D+01 -0.553773D+01
      2   0.985788D+00  0.134203D+00 -0.123913D+02 -0.267264D+00  0.141795D+02
      3   0.140252D+02  0.997909D+00 -0.419754D+01 -0.393746D+01 -0.864176D+01
      4   0.642111D+01  0.126015D+02 -0.101453D+02 -0.216667D+00  0.449631D+01
      5  -0.905238D+01  0.315194D+01 -0.694104D+00 -0.244373D+01  0.266400D+01
      6  -0.124376D+02  0.238772D+01 -0.165232D+01 -0.467989D+01  0.794129D+01
                86            87            88            89            90 
      1   0.346261D+01  0.466207D+01 -0.169857D+01  0.635678D+01 -0.134707D+02
      2  -0.620281D+01 -0.309923D+01  0.657512D+01 -0.797714D+01  0.177412D+01
      3   0.274020D+01 -0.156284D+01 -0.487655D+01  0.162036D+01  0.116966D+02
      4   0.144292D+02  0.260406D+01  0.311176D+01  0.134904D+01  0.327146D+01
      5   0.267154D+01  0.140708D+00  0.305482D+01  0.182208D+01 -0.118286D+01
      6  -0.548522D+01  0.503198D+01 -0.381337D+01  0.113840D+02 -0.122050D+01
                91            92            93            94            95 
      1   0.100284D+02 -0.215353D+02 -0.257598D+01  0.194711D+02  0.123629D+02
      2  -0.100452D+02  0.147899D+02  0.733157D+00 -0.168911D+02 -0.161078D+02
      3   0.168216D-01  0.674541D+01  0.184282D+01 -0.258003D+01  0.374489D+01
      4  -0.158443D+02 -0.688599D+01 -0.378186D+01  0.984225D+01 -0.459547D+01
      5  -0.519152D+01 -0.248529D+01 -0.555999D+00  0.215691D-01 -0.632629D+01
      6  -0.466155D+01 -0.118904D+01  0.360974D+01 -0.438973D+01 -0.101605D+02
                96            97            98            99           100 
      1   0.354224D+01  0.386474D+01  0.691933D+00 -0.497305D+01 -0.153131D+02
      2  -0.575328D+01 -0.680850D+01 -0.827224D+01 -0.507396D+01  0.103875D+02
      3   0.221105D+01  0.294376D+01  0.758031D+01  0.100470D+02  0.492560D+01
      4  -0.570961D+01 -0.358380D+01 -0.962077D+01  0.121076D+02 -0.269468D+01
      5   0.801874D+01  0.113023D+02  0.128558D+02  0.841407D+01 -0.427487D+01
      6   0.355745D+01  0.549008D+01  0.128392D+02  0.327146D+01  0.114181D+01
               101           102           103           104           105 
      1  -0.335849D+01 -0.482310D+01  0.967737D+01 -0.219570D+02 -0.729232D+01
      2   0.247182D+01  0.226797D+01 -0.813781D+01  0.191358D+02  0.865710D+01
      3   0.886668D+00  0.255513D+01 -0.153957D+01  0.282118D+01 -0.136478D+01
      4   0.208142D+02  0.776964D+00 -0.184021D+02 -0.386954D+01 -0.344280D+01
      5   0.472960D+00  0.143604D+02 -0.113971D+02 -0.126475D+01  0.120213D+01
      6   0.468742D+00  0.176900D+01 -0.311520D+01  0.357236D+01 -0.172667D+01
               106           107           108           109           110 
      1  -0.348772D+01 -0.837183D+01  0.122907D+02 -0.194386D+01  0.233847D+02
      2  -0.501247D+00  0.630937D+01 -0.154588D+02 -0.206179D+01 -0.152170D+02
      3   0.398896D+01  0.206247D+01  0.316812D+01  0.400565D+01 -0.816767D+01
      4  -0.118829D+02 -0.122784D+01  0.215567D+01  0.172758D+02  0.198628D+01
      5   0.327528D+02  0.315219D+01  0.426723D+01  0.545695D+00  0.342713D+00
      6   0.150908D+01  0.499835D+01 -0.401482D+01  0.731679D+00 -0.202351D+01
               111           112           113           114           115 
      1   0.499663D+01 -0.250123D+02  0.528255D+01  0.752081D+00 -0.739152D+01
      2  -0.757540D+00  0.233870D+02 -0.890563D+01 -0.114592D+01  0.932830D+01
      3  -0.423909D+01  0.162528D+01  0.362307D+01  0.393835D+00 -0.193678D+01
      4   0.181486D+01  0.145932D+01  0.108537D+02  0.829177D+01 -0.178538D+01
      5   0.559880D+01 -0.480661D+01  0.697012D+01 -0.882035D+01  0.176634D+02
      6  -0.544390D+01  0.661380D+01 -0.576135D+01  0.330190D+01 -0.624590D+01
               116           117           118           119           120 
      1   0.431088D+01  0.217683D+01  0.119527D+02 -0.118906D+02 -0.458594D+00
      2  -0.741654D+01 -0.833009D+01 -0.797304D+01  0.973359D+01  0.299360D+00
      3   0.310566D+01  0.615326D+01 -0.397968D+01  0.215702D+01  0.159235D+00
      4   0.883949D+01 -0.130205D+02 -0.898274D+01 -0.172399D+02 -0.299368D+01
      5  -0.136060D+02 -0.694085D+01  0.245960D+00 -0.193531D+01 -0.448509D+01
      6   0.109064D+02 -0.778190D+00 -0.203591D+01 -0.954393D+00  0.341025D+01
               121           122           123           124           125 
      1  -0.537724D+00  0.103409D+02  0.499819D+01  0.224115D+01  0.394531D+01
      2  -0.822897D+01 -0.136672D+02 -0.725665D+01 -0.445874D+01 -0.102380D+02
      3   0.876670D+01  0.332637D+01  0.225846D+01  0.221760D+01  0.629274D+01
      4   0.112807D+02 -0.125758D+02 -0.142824D+01 -0.472236D+00 -0.281589D+01
      5  -0.554887D+00 -0.197150D+01 -0.114609D+01  0.356707D+01 -0.505381D+01
      6  -0.474414D+01 -0.101131D+02  0.334443D+01  0.154879D+01  0.128012D+02
               126           127           128           129           130 
      1  -0.145279D+02 -0.505756D+01  0.741246D+01  0.708626D+00  0.801365D+01
      2  -0.127420D+00  0.693280D+01 -0.104802D+02 -0.632149D+00 -0.110413D+02
      3   0.146553D+02 -0.187524D+01  0.306773D+01 -0.764764D-01  0.302761D+01
      4  -0.658859D+01 -0.869402D+01  0.855996D+01  0.102533D+01  0.820863D+01
      5  -0.440223D+01 -0.123496D+01  0.986821D+00  0.176417D+01  0.106132D+01
      6   0.364666D+01  0.876445D+00 -0.116189D+01 -0.265080D+01 -0.222593D+01
               131           132           133           134           135 
      1  -0.203529D+02 -0.328405D+01  0.138332D+01 -0.363350D+01 -0.105130D+01
      2   0.275501D+02  0.259367D+01 -0.175301D+01  0.405078D+01  0.175118D+01
      3  -0.719713D+01  0.690372D+00  0.369694D+00 -0.417277D+00 -0.699886D+00
      4  -0.877556D+01 -0.861860D+00  0.120264D+01 -0.997303D+00 -0.204320D+01
      5  -0.120467D+01 -0.123847D+01  0.110738D+01 -0.795065D+00 -0.897592D+00
      6   0.425903D+01  0.522036D+01 -0.108422D+01  0.254365D+01  0.155415D+01
               136           137           138           139           140 
      1   0.552163D+01  0.487760D+01  0.966424D+00 -0.881949D+00 -0.155607D+02
      2   0.315404D+01  0.480218D+01  0.223844D+00  0.109025D+02  0.368488D+02
      3  -0.867567D+01 -0.967978D+01 -0.119027D+01 -0.100205D+02 -0.212881D+02
      4   0.185510D+02  0.227573D+02  0.481041D+01  0.234384D+02  0.458354D+02
      5   0.430099D+01  0.484759D+01  0.457688D+01  0.500635D+01  0.890874D+01
      6   0.318553D+01  0.368386D+01  0.301746D+01  0.493763D+01  0.121854D+02
               141           142           143           144           145 
      1  -0.340806D+01  0.979916D-01 -0.299186D+01 -0.219636D+01  0.993242D+02
      2   0.496064D+01  0.183018D+01  0.662791D+01  0.322068D+01 -0.560564D+02
      3  -0.155259D+01 -0.192817D+01 -0.363605D+01 -0.102432D+01 -0.432677D+02
      4   0.896372D+01  0.574717D+01  0.107553D+02  0.444078D+01  0.129557D+02
      5   0.650671D+01  0.233975D+01  0.372443D+01  0.274428D+01  0.973087D+01
      6   0.903349D+01  0.248100D+01  0.573881D+01  0.375652D+01 -0.192391D+01
               146           147           148           149           150 
      1   0.872511D+01  0.609411D+01  0.678673D+01  0.966759D+01  0.156606D+01
      2  -0.430854D+01 -0.422654D+01 -0.291353D+01 -0.439356D+01 -0.124466D+01
      3  -0.441657D+01 -0.186756D+01 -0.387320D+01 -0.527403D+01 -0.321401D+00
      4   0.961546D+01  0.459297D+00  0.155000D+02  0.418915D+01  0.132549D+01
      5   0.495756D+00  0.112154D+02  0.319534D+01  0.150687D+01  0.142526D+01
      6   0.260880D+00  0.596501D+00  0.820242D+00 -0.316308D-01  0.146469D+01
               151           152           153           154           155 
      1   0.716066D+01  0.183001D+01  0.462171D+01  0.214269D+02 -0.134563D+02
      2  -0.414512D+01 -0.999957D+00 -0.290453D+01 -0.376402D+01 -0.113323D+01
      3  -0.301554D+01 -0.830051D+00 -0.171718D+01 -0.176629D+02  0.145896D+02
      4   0.355034D+01  0.141144D+01  0.878392D+00 -0.325581D+02  0.298669D+02
      5   0.472670D+01  0.553829D+00  0.168966D+01 -0.547795D+01  0.380664D+01
      6   0.213899D+00  0.705994D+00  0.298653D+00  0.203336D+01 -0.165227D+01
               156           157           158           159           160 
      1  -0.236902D+01 -0.868714D+01  0.294450D+01  0.707007D+00 -0.817512D+00
      2   0.945323D+00 -0.636217D+01  0.170757D+02  0.728742D+00 -0.102510D+01
      3   0.142370D+01  0.150493D+02 -0.200202D+02 -0.143575D+01  0.184261D+01
      4   0.380953D+01  0.328011D+02 -0.435921D+02 -0.644389D+01  0.535357D+01
      5   0.609485D+01  0.581201D+01 -0.669449D+01 -0.634387D+01  0.284704D+01
      6  -0.332731D+01 -0.357091D+01  0.500954D+01  0.601620D+01 -0.224737D+01
               161           162           163           164           165 
      1   0.466111D-01 -0.122368D-01 -0.542181D+01 -0.858676D+01 -0.252385D+01
      2   0.236781D+01  0.129881D+01  0.664309D+01  0.101630D+02  0.169649D+01
      3  -0.241442D+01 -0.128657D+01 -0.122127D+01 -0.157629D+01  0.827359D+00
      4  -0.699623D+01 -0.397613D+01  0.370879D+01  0.729906D+01  0.140904D+01
      5  -0.323838D+01 -0.178821D+01  0.963535D+00  0.125581D+01  0.141820D+01
      6   0.340196D+01  0.202803D+01  0.245218D+01  0.342206D+01  0.262351D+01
               166           167           168           169           170 
      1  -0.757317D+01 -0.321078D+02 -0.780354D+01 -0.220189D+01 -0.793075D+01
      2   0.935155D+01  0.422370D+02  0.708303D+01  0.237529D+01  0.896319D+01
      3  -0.177838D+01 -0.101292D+02  0.720514D+00 -0.173399D+00 -0.103244D+01
      4   0.520216D+01 -0.663807D+00 -0.639618D+00  0.138797D+01 -0.129785D+00
      5   0.987976D+00 -0.651662D+00 -0.279026D+00  0.774767D+00  0.571356D+00
      6   0.291066D+01  0.122543D+02  0.878867D+01  0.131170D+01  0.528734D+01
               171 
      1  -0.362035D+01
      2   0.393344D+01
      3  -0.313088D+00
      4   0.145655D+01
      5   0.602561D+00
      6   0.371103D+01
 Leave Link  716 at Thu Aug 12 22:00:53 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125803D+03  0.823309D+00  0.617271D+00
      2   0.823309D+00  0.102448D+03  0.518544D+01
      3   0.617271D+00  0.518544D+01  0.723694D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122543D+01  0.621908D+01  0.450613D+01
      2   0.154861D+01  0.125460D+02 -0.616750D+01
      3  -0.758272D+01 -0.403973D+02 -0.122241D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.943085D+02  0.433206D+01  0.500864D+01
      2  -0.323980D+02 -0.116189D+02 -0.150683D+02
      3  -0.619106D+02  0.728686D+01  0.100597D+02
      4  -0.137777D+02  0.807362D+02  0.289444D+02
      5   0.316282D+02  0.300303D+02 -0.193007D+02
      6   0.118057D+02  0.101935D+02 -0.695784D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.594880D+01  0.214289D+01 -0.115487D+01  0.352687D+01 -0.229481D+01
      2   0.214289D+01 -0.118194D+01  0.175930D+01 -0.229481D+01  0.145744D+01
      3  -0.115487D+01  0.175930D+01 -0.339791D+01  0.133298D+01 -0.152558D+01
                 6             7             8             9            10 
      1   0.133298D+01  0.570764D+00  0.878047D+00 -0.268869D+01  0.451408D+01
      2  -0.152558D+01  0.878047D+00  0.979991D+00 -0.416096D+00  0.172410D+00
      3   0.732311D-01 -0.268869D+01 -0.416096D+00  0.318194D+01 -0.119948D+01
                11            12            13            14            15 
      1   0.172410D+00 -0.119948D+01  0.892593D-01  0.276664D+01 -0.134446D+01
      2   0.673331D+00 -0.118309D+01  0.276664D+01  0.395755D+01  0.379653D+01
      3  -0.118309D+01  0.210172D+01 -0.134446D+01  0.379653D+01  0.110174D+01
                16            17            18            19            20 
      1  -0.446619D+01 -0.127365D+01  0.478846D+01  0.980687D+00  0.745683D-01
      2  -0.127365D+01  0.238938D+01  0.178002D+01  0.745683D-01  0.500554D+00
      3   0.478846D+01  0.178002D+01 -0.150286D+01 -0.572242D+00 -0.920439D+00
                21            22            23            24            25 
      1  -0.572242D+00  0.110151D+00 -0.185909D+00 -0.142038D+00 -0.145963D+01
      2  -0.920439D+00 -0.185909D+00  0.115793D+01 -0.106735D+01 -0.568147D-02
      3   0.233304D+01 -0.142038D+00 -0.106735D+01  0.126794D+01  0.239653D+00
                26            27            28            29            30 
      1  -0.568147D-02  0.239653D+00 -0.551560D+00 -0.149370D+01 -0.658916D+00
      2  -0.162388D+01  0.193753D+01 -0.149370D+01 -0.100172D+01 -0.363164D+00
      3   0.193753D+01 -0.661242D+01 -0.658916D+00 -0.363164D+00 -0.905861D+00
                31            32            33            34            35 
      1  -0.287436D+01 -0.200426D+01 -0.588038D+00 -0.652523D+00 -0.604400D+00
      2  -0.200426D+01 -0.584614D+01 -0.228621D+01 -0.604400D+00 -0.226201D+01
      3  -0.588038D+00 -0.228621D+01 -0.230207D+01 -0.136056D+01 -0.204139D+01
                36            37            38            39            40 
      1  -0.136056D+01  0.888661D+01  0.160812D+01  0.384245D+00  0.144708D+01
      2  -0.204139D+01  0.160812D+01 -0.178209D+01  0.938419D+00 -0.161219D+01
      3  -0.229180D+01  0.384245D+00  0.938419D+00 -0.272523D+01  0.108655D+01
                41            42            43            44            45 
      1  -0.161219D+01  0.108655D+01  0.552420D+01  0.142107D+01 -0.404709D+01
      2  -0.312932D+00 -0.428663D+01  0.142107D+01 -0.335621D+01 -0.107773D+01
      3  -0.428663D+01 -0.608278D+00 -0.404709D+01 -0.107773D+01  0.111875D+01
                46            47            48            49            50 
      1  -0.164771D+02 -0.177458D+01  0.126844D+00 -0.346037D+01  0.133706D+01
      2  -0.177458D+01 -0.256007D+01  0.193269D+00  0.133706D+01 -0.433172D+00
      3   0.126844D+00  0.193269D+00 -0.212430D+01  0.105659D+01 -0.273981D+00
                51            52            53            54            55 
      1   0.105659D+01 -0.917174D+00  0.104152D+01 -0.387610D+01 -0.139646D+02
      2  -0.273981D+00  0.104152D+01 -0.521213D+00 -0.520031D+00 -0.168777D+01
      3  -0.173657D+00 -0.387610D+01 -0.520031D+00 -0.563555D+00  0.142866D+01
                56            57            58            59            60 
      1  -0.168777D+01  0.142866D+01 -0.153939D+01 -0.154917D+01  0.135400D+00
      2  -0.115460D+01  0.183222D+00 -0.154917D+01 -0.579866D+00  0.580124D+00
      3   0.183222D+00 -0.147114D+01  0.135400D+00  0.580124D+00 -0.225182D+00
                61            62            63            64            65 
      1  -0.123463D+01 -0.236253D+00 -0.843429D+00 -0.562788D+00  0.712858D+00
      2  -0.236253D+00  0.106331D+00 -0.103758D+00  0.712858D+00  0.412847D+00
      3  -0.843429D+00 -0.103758D+00 -0.202769D+00  0.363054D+00  0.213106D-01
                66            67            68            69            70 
      1   0.363054D+00  0.184481D+01 -0.803950D-01 -0.782926D+00  0.678436D+00
      2   0.213106D-01 -0.803950D-01  0.374322D+01  0.243568D+01 -0.320717D+00
      3   0.819709D+00 -0.782926D+00  0.243568D+01  0.301666D+01 -0.112423D+00
                71            72            73            74            75 
      1  -0.320717D+00 -0.112423D+00  0.110933D+00 -0.102794D+01  0.546425D+00
      2   0.205136D+01  0.175033D+01 -0.102794D+01  0.119788D+01 -0.757794D+00
      3   0.175033D+01  0.332802D+01  0.546425D+00 -0.757794D+00  0.144778D+01
                76            77            78            79            80 
      1  -0.154963D+01  0.307370D+00 -0.286371D-01  0.316956D+00 -0.184744D+00
      2   0.307370D+00 -0.422591D+01  0.273042D+01 -0.184744D+00  0.214062D+01
      3  -0.286371D-01  0.273042D+01 -0.250869D+01  0.402518D+00 -0.188561D+01
                81            82            83            84            85 
      1   0.402518D+00  0.364746D+01 -0.786933D+00  0.163328D+00  0.767769D+01
      2  -0.188561D+01 -0.786933D+00 -0.287133D+01 -0.490884D+00  0.238548D-01
      3   0.303277D+01  0.163328D+00 -0.490884D+00 -0.158768D+01  0.369625D+00
                86            87            88            89            90 
      1   0.238548D-01  0.369625D+00  0.238984D+01 -0.589136D-01 -0.173319D+01
      2   0.146146D+01 -0.805912D+00 -0.589136D-01 -0.150669D+01  0.299283D+01
      3  -0.805912D+00  0.179040D+01 -0.173319D+01  0.299283D+01  0.100209D+01
                91            92            93            94            95 
      1  -0.372808D+01 -0.380150D+00 -0.139337D+00  0.466980D+01  0.125520D-01
      2  -0.380150D+00  0.200138D+01 -0.390877D+00  0.125520D-01  0.985737D+00
      3  -0.139337D+00 -0.390877D+00  0.841200D+00 -0.337059D+00 -0.973714D+00
                96            97            98            99           100 
      1  -0.337059D+00  0.450213D+00 -0.775203D+00  0.176905D+01  0.485630D+01
      2  -0.973714D+00 -0.775203D+00 -0.129334D+01  0.332212D+01  0.244823D+00
      3   0.167040D+01  0.176905D+01  0.332212D+01  0.231899D+01 -0.494628D+00
               101           102           103           104           105 
      1   0.244823D+00 -0.494628D+00  0.727271D+00 -0.668559D-01 -0.101253D+01
      2   0.312656D+01  0.122163D+00 -0.668559D-01  0.271587D+00 -0.516586D+00
      3   0.122163D+00  0.247489D+01 -0.101253D+01 -0.516586D+00  0.144901D+00
               106           107           108           109           110 
      1  -0.857260D-01 -0.109426D+01  0.501136D+01 -0.220831D+01 -0.670415D+00
      2  -0.109426D+01  0.617783D-01  0.447458D+00 -0.670415D+00  0.224744D+01
      3   0.501136D+01  0.447458D+00  0.840515D+00 -0.428510D+00  0.695102D+00
               111           112           113           114           115 
      1  -0.428510D+00 -0.499842D+01 -0.957038D+00 -0.976700D+00 -0.147061D+01
      2   0.695102D+00 -0.957038D+00 -0.909768D+00  0.110098D+01 -0.658292D+00
      3   0.157139D+01 -0.976700D+00  0.110098D+01 -0.160479D+01  0.261407D+01
               116           117           118           119           120 
      1  -0.658292D+00  0.261407D+01  0.503887D+01  0.228792D+01  0.792451D+00
      2   0.160336D+01 -0.282687D+01  0.228792D+01 -0.198826D+01 -0.120445D+00
      3  -0.282687D+01 -0.112017D+01  0.792451D+00 -0.120445D+00 -0.738017D+00
               121           122           123           124           125 
      1  -0.623612D+01 -0.497909D+00  0.186828D+00 -0.449982D+00  0.947706D+00
      2  -0.497909D+00 -0.152020D+01  0.112916D+01  0.947706D+00  0.123574D+01
      3   0.186828D+00  0.112916D+01 -0.172615D+01 -0.792759D+00 -0.328769D+01
               126           127           128           129           130 
      1  -0.792759D+00 -0.333669D+01  0.230931D+01  0.302407D+00  0.235925D+01
      2  -0.328769D+01  0.230931D+01 -0.271137D+01 -0.234344D+00 -0.283253D+01
      3  -0.267392D+01  0.302407D+00 -0.234344D+00 -0.532493D+00 -0.466698D+00
               131           132           133           134           135 
      1  -0.283253D+01 -0.466698D+00  0.306433D+00 -0.434274D+00 -0.765490D-01
      2   0.590948D+01  0.791448D+00 -0.434274D+00  0.106893D+01  0.276088D+00
      3   0.791448D+00  0.893938D+00 -0.765490D-01  0.276088D+00  0.227264D+00
               136           137           138           139           140 
      1   0.230043D+01  0.263184D+01  0.650981D+00  0.225607D+01  0.366505D+01
      2   0.263184D+01  0.279075D+01  0.639388D+00  0.366505D+01  0.927597D+01
      3   0.650981D+00  0.639388D+00  0.535237D+00  0.810019D+00  0.188699D+01
               141           142           143           144           145 
      1   0.810019D+00  0.651463D+00  0.969710D+00  0.307647D+00  0.132182D+02
      2   0.188699D+01  0.969710D+00  0.214237D+01  0.651518D+00  0.124849D+01
      3   0.135366D+01  0.307647D+00  0.651518D+00  0.441068D+00  0.961537D+00
               146           147           148           149           150 
      1   0.124849D+01  0.961537D+00  0.109348D+01  0.166675D+01  0.398661D+00
      2   0.916682D+00  0.501067D-01  0.166675D+01  0.472352D+00  0.150043D+00
      3   0.501067D-01  0.110163D+01  0.398661D+00  0.150043D+00  0.160860D+00
               151           152           153           154           155 
      1   0.100837D+01  0.399361D+00  0.247611D+00  0.489153D+01 -0.380873D+01
      2   0.399361D+00  0.117059D+00  0.412845D-01 -0.380873D+01  0.351225D+01
      3   0.247611D+00  0.412845D-01  0.147589D+00 -0.585482D+00  0.416008D+00
               156           157           158           159           160 
      1  -0.585482D+00 -0.362345D+01  0.433626D+01  0.786881D+00 -0.597009D+00
      2   0.416008D+00  0.433626D+01 -0.658011D+01 -0.100771D+01  0.691164D+00
      3   0.682784D+00  0.786881D+00 -0.100771D+01 -0.994621D+00  0.278093D+00
               161           162           163           164           165 
      1   0.691164D+00  0.278093D+00 -0.166705D+01 -0.180300D+01 -0.486470D+00
      2  -0.126236D+01 -0.384953D+00 -0.180300D+01 -0.212828D+01 -0.557247D+00
      3  -0.384953D+00 -0.243823D+00 -0.486470D+00 -0.557247D+00 -0.426746D+00
               166           167           168           169           170 
      1  -0.151998D+01 -0.203447D+01 -0.484446D+00 -0.563201D+00 -0.702178D+00
      2  -0.203447D+01 -0.828462D+01 -0.185771D+01 -0.702178D+00 -0.207122D+01
      3  -0.484446D+00 -0.185771D+01 -0.133028D+01 -0.127666D+00 -0.655050D+00
               171 
      1  -0.127666D+00
      2  -0.655050D+00
      3  -0.427676D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.832016D-01  0.266064D+01  0.233914D+01  0.408266D+00 -0.324162D+01
      2  -0.389703D+01 -0.349421D+01  0.128582D+02 -0.135954D+00  0.103427D+01
      3   0.359056D+01 -0.955095D+01  0.529676D+01 -0.270857D+01  0.565117D+01
                 6             7             8             9            10 
      1  -0.275072D+01 -0.953846D+00  0.416765D+01 -0.450415D+01 -0.110497D+01
      2   0.545442D+00  0.485229D+01  0.326072D+01 -0.967880D+01  0.373871D+01
      3  -0.301115D+01  0.249206D+01  0.747691D+00 -0.330482D+01 -0.189506D+01
                11            12            13            14            15 
      1  -0.458727D+00  0.577538D-01  0.154888D+01  0.318256D+01 -0.653464D+00
      2   0.173191D+01 -0.236365D+01  0.568390D+00 -0.749842D+01 -0.217658D+01
      3   0.857498D+00 -0.563612D+00  0.124061D+02  0.520339D+01  0.905508D+01
                16            17            18            19            20 
      1   0.361746D+01  0.324679D+01 -0.118639D+01  0.473054D-01 -0.480257D+00
      2  -0.158492D+02 -0.468501D+01  0.263706D+01  0.496031D+01  0.200198D+01
      3   0.579771D+00  0.898449D+01  0.101837D+01  0.194458D+01  0.199168D+01
                21            22            23            24            25 
      1  -0.181769D+01 -0.220077D+00 -0.126785D+00 -0.112940D+01 -0.776879D+00
      2  -0.606065D+01  0.330323D+00  0.224913D+01 -0.343738D+01 -0.457351D+01
      3  -0.286064D+01  0.163517D+01  0.234621D+01 -0.231293D+01 -0.112817D+01
                26            27            28            29            30 
      1   0.853277D+00  0.405965D+01 -0.341657D+00 -0.151056D+00 -0.907376D+00
      2  -0.513760D+01  0.158066D+02  0.105292D+01  0.234601D+00  0.231139D+01
      3  -0.337480D+01  0.711595D+01 -0.369413D+01 -0.221947D+01 -0.381636D+00
                31            32            33            34            35 
      1  -0.373715D+00  0.765629D+00 -0.332617D+01 -0.779371D+00  0.414522D+00
      2  -0.357845D+00  0.403668D+01  0.440538D+01  0.708541D+00  0.297356D+01
      3   0.109635D+01 -0.116263D+02 -0.466095D+01  0.107235D+00 -0.447128D+01
                36            37            38            39            40 
      1  -0.205184D+01  0.289412D+01 -0.342555D+01 -0.597997D+00 -0.295808D-01
      2   0.392129D+01 -0.129363D+02 -0.449350D+01  0.105781D+02 -0.369669D+01
      3  -0.313808D+01  0.115722D+01 -0.958756D+01  0.153058D+01 -0.224767D+01
                41            42            43            44            45 
      1  -0.231767D+01 -0.101387D+02 -0.185361D+01 -0.467143D+01  0.687555D-01
      2   0.139103D+02  0.618612D+00  0.611774D+01  0.212382D+01  0.126765D+01
      3  -0.711174D-01 -0.142109D+02 -0.361941D+00 -0.130103D+02 -0.408370D-02
                46            47            48            49            50 
      1  -0.663061D+00  0.790840D-01  0.159253D+00 -0.120344D+01 -0.333127D+01
      2  -0.409482D+01 -0.778768D+00 -0.102720D+01 -0.110803D+01  0.902299D+00
      3   0.820991D+00  0.540604D+01  0.561972D+00  0.157938D+02  0.125714D+01
                51            52            53            54            55 
      1   0.130987D+01 -0.493714D+00  0.917793D+01  0.199068D+01 -0.988437D+00
      2   0.221220D+00 -0.135415D+02  0.202248D+00 -0.234028D+00  0.108251D+02
      3  -0.152987D+01  0.133136D+00 -0.171891D+00  0.446870D+00  0.278999D+01
                56            57            58            59            60 
      1  -0.176374D+01 -0.107296D+01 -0.167402D+01 -0.172019D+00 -0.176331D+00
      2   0.133176D+01  0.578501D+01  0.143439D+01 -0.305760D+00  0.866437D+00
      3  -0.536251D+01 -0.228132D+00 -0.224035D+01 -0.902776D+00  0.160448D+01
                61            62            63            64            65 
      1  -0.586478D+00  0.983850D+00 -0.312065D+00  0.160667D+01  0.137648D+01
      2   0.160382D+01  0.214243D+00  0.150839D+01 -0.149590D+01 -0.119624D+01
      3  -0.168279D+00  0.126650D+01  0.303662D+00  0.264087D+01  0.119508D+01
                66            67            68            69            70 
      1   0.227740D+00  0.549000D+00  0.797356D+01  0.310070D+01 -0.978579D-01
      2  -0.204658D+01 -0.163136D+01 -0.719452D+01 -0.712503D+01 -0.222261D+01
      3   0.139099D+00  0.222657D+01  0.110048D+02  0.690003D+01 -0.333743D+00
                71            72            73            74            75 
      1   0.554323D+01  0.368232D+01 -0.146276D+01  0.213044D+01  0.469755D+00
      2  -0.456481D+01 -0.796101D+01 -0.316145D+01  0.298027D+01 -0.328404D+01
      3   0.588646D+01  0.480290D+01 -0.407285D+01  0.368273D+01 -0.205205D+01
                76            77            78            79            80 
      1   0.112395D+01 -0.483386D+01  0.541853D+00  0.305274D+00  0.342773D+01
      2   0.304647D+01 -0.792895D+01  0.625101D+01 -0.326151D+01  0.508243D+01
      3   0.439440D+01 -0.107859D+02  0.706699D+01 -0.880887D+00  0.556681D+01
                81            82            83            84            85 
      1  -0.423034D+00 -0.187337D-01 -0.601446D-01  0.249557D+01 -0.803370D+00
      2  -0.769998D+01  0.174728D+01  0.597500D+00 -0.132831D+01  0.341783D+01
      3  -0.532882D+01  0.712531D+00 -0.651699D+00  0.353043D+00  0.302696D+01
                86            87            88            89            90 
      1   0.261437D+00 -0.246868D+01  0.649197D+01  0.368808D+01  0.944082D+00
      2   0.272348D+00  0.125634D+01 -0.119122D+02  0.305799D+00 -0.331855D+00
      3  -0.595517D+01  0.100456D+01 -0.150687D+01 -0.177417D+00 -0.557462D+01
                91            92            93            94            95 
      1   0.307350D-01  0.953178D+00 -0.195795D+01  0.125549D+01 -0.100138D+00
      2  -0.510337D+00  0.227268D+01  0.113641D+01  0.111063D+01 -0.273552D+01
      3   0.180102D+01 -0.123675D+02 -0.204263D+01  0.365853D+01 -0.594998D+00
                96            97            98            99           100 
      1  -0.239170D+01 -0.450907D+01  0.972372D+00 -0.122737D+01  0.282954D+00
      2   0.394261D+01 -0.746629D+01  0.779930D+01  0.427662D+01  0.174390D+00
      3   0.175913D+01  0.494235D-01  0.297277D+01 -0.411349D+01 -0.201807D+01
               101           102           103           104           105 
      1  -0.603471D+00 -0.793186D+00 -0.105309D+01 -0.248185D+01  0.106071D+01
      2  -0.295466D+00  0.644209D+01 -0.423583D+01  0.178045D+00  0.904953D+00
      3  -0.633397D+01  0.755161D-01  0.107631D+02 -0.175365D+01  0.100027D+01
               106           107           108           109           110 
      1  -0.198801D+01  0.105482D+02  0.268996D+01 -0.300494D+00 -0.462388D+00
      2   0.629605D+01  0.219516D+01  0.155562D+01 -0.992269D+00  0.149495D+01
      3   0.316594D+01  0.341461D+00 -0.729603D+00  0.359504D+01 -0.948768D+01
               111           112           113           114           115 
      1   0.236467D+01 -0.121392D+01 -0.118185D+00 -0.157818D+01  0.611563D+01
      2   0.270171D+01 -0.954960D+00  0.277218D+01 -0.458656D+01 -0.350823D+01
      3  -0.156065D+01  0.726110D+01  0.134013D+01 -0.177353D+01  0.414121D+00
               116           117           118           119           120 
      1   0.351075D+01  0.993369D+00  0.467479D-01  0.103911D+01 -0.164191D+01
      2  -0.903666D+01 -0.302574D+01  0.338126D+01  0.185313D+01 -0.803357D+00
      3  -0.276381D+01  0.402847D+01 -0.543883D+01 -0.440685D+01 -0.220439D+01
               121           122           123           124           125 
      1   0.102240D+01  0.838518D+00 -0.254164D+01 -0.466340D+01  0.162683D+01
      2   0.137881D+01 -0.320188D+00 -0.136948D+01 -0.130047D+02 -0.121425D+01
      3   0.361898D+01  0.571350D+01 -0.155597D+00 -0.216627D+01 -0.161145D+01
               126           127           128           129           130 
      1  -0.451351D+00 -0.989901D-01 -0.777768D+00  0.230166D+01  0.998463D-01
      2  -0.287101D+01  0.160777D+01 -0.789080D+00  0.564534D+00 -0.621028D+00
      3   0.465714D+01 -0.870704D+01  0.367393D+01  0.544708D+00  0.621601D+01
               131           132           133           134           135 
      1  -0.897397D-01 -0.305060D+01 -0.832575D-01  0.171696D+01 -0.140472D+00
      2   0.110062D+01 -0.103042D+01 -0.180800D+01  0.502296D+00 -0.230552D+00
      3  -0.517379D+01 -0.111633D+01  0.115448D+00 -0.898856D+00 -0.246090D+00
               136           137           138           139           140 
      1  -0.179377D+00  0.356852D-01 -0.168725D+01 -0.176875D+00  0.467169D+00
      2   0.256206D+00  0.461906D+00  0.157788D+01  0.472223D+00  0.265361D+01
      3  -0.686693D+00 -0.214584D+01 -0.326619D+00 -0.127048D+01 -0.132662D+02
               141           142           143           144           145 
      1  -0.429703D+01  0.565038D+00  0.183168D+01 -0.681597D+00 -0.997022D-01
      2   0.337845D+01 -0.433796D+00  0.238873D+00  0.897664D+00  0.119296D+01
      3  -0.245065D+01 -0.534445D+00 -0.312834D+01 -0.767084D+00 -0.723697D+00
               146           147           148           149           150 
      1   0.354131D+00 -0.588983D+00  0.235967D-01 -0.265357D-01 -0.375232D+00
      2  -0.753585D-01  0.633393D+01  0.154323D+01  0.378037D+00  0.885807D+00
      3  -0.526561D+01  0.124062D+00 -0.387281D+01 -0.131920D+01 -0.398662D+00
               151           152           153           154           155 
      1   0.370357D+00  0.649107D+00  0.436965D-01  0.191061D+00 -0.624939D+00
      2  -0.235967D+01 -0.123326D+00  0.364352D+00  0.426742D-01 -0.110160D+00
      3  -0.105755D+01 -0.700654D+00 -0.718138D-01  0.148047D+01 -0.451693D+01
               156           157           158           159           160 
      1   0.220992D+01  0.294926D+00  0.148242D+00 -0.328251D+01 -0.741740D+00
      2   0.280150D+01  0.839830D+00 -0.141676D+01 -0.354476D+01 -0.633489D+00
      3  -0.158235D+00 -0.336868D+01  0.108450D+02  0.131169D+01 -0.104827D+01
               161           162           163           164           165 
      1   0.139102D+01 -0.304078D+00  0.753886D-01  0.179309D+00 -0.156015D+01
      2   0.180448D+00 -0.439201D+00 -0.158264D+01 -0.113716D+01  0.661247D-02
      3   0.228088D+01  0.450404D+00  0.628523D+01  0.387175D+01  0.116512D+01
               166           167           168           169           170 
      1   0.112924D+00  0.611812D+00 -0.403636D+01  0.479375D+00  0.213927D+01
      2  -0.140043D+01 -0.208745D+01 -0.605397D-02 -0.192265D+01 -0.733039D+00
      3   0.653049D+01  0.850358D+01  0.222736D+01  0.212929D+01  0.226172D+01
               171 
      1  -0.602447D+00
      2  -0.721735D-01
      3   0.454749D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270325D+02 -0.222374D+01 -0.235163D+01 -0.813499D+01  0.249235D+01
      2  -0.146819D+02 -0.717115D+00 -0.585679D+01  0.339519D+01  0.727390D+01
      3  -0.123506D+02  0.294085D+01  0.820842D+01  0.473980D+01 -0.976625D+01
      4  -0.147259D+02  0.155027D+02 -0.684472D+01  0.194303D+02 -0.123309D+02
      5   0.119700D+02 -0.811992D+01  0.224537D+02 -0.105384D+02  0.960168D+01
      6  -0.435053D+01  0.429338D+01 -0.667061D+01  0.694677D+01 -0.412943D+01
                 6             7             8             9            10 
      1  -0.467950D+01 -0.213052D+01 -0.247623D+01  0.165631D+02  0.593819D+01
      2   0.224173D+01 -0.286487D+01 -0.197483D+01 -0.539905D+01 -0.676574D+00
      3   0.243777D+01  0.499539D+01  0.445106D+01 -0.111640D+02 -0.526162D+01
      4   0.922879D+01 -0.539882D+01  0.586644D+00 -0.208614D+01  0.360495D+01
      5  -0.470253D+01  0.195825D+02 -0.661420D+00 -0.378442D+01  0.552276D+01
      6   0.652052D+01 -0.398665D+01  0.253908D+01  0.357176D+01  0.210941D+01
                11            12            13            14            15 
      1   0.187323D+01 -0.122298D+01  0.905613D+01  0.162979D+01  0.658496D+01
      2  -0.697944D-02 -0.234600D+01 -0.697394D+01 -0.790320D+01 -0.109525D+02
      3  -0.186625D+01  0.356898D+01 -0.208219D+01  0.627341D+01  0.436757D+01
      4  -0.953461D+01  0.447906D+01 -0.164773D+02 -0.151898D+02 -0.182742D+02
      5   0.464201D+01 -0.152735D+02  0.103816D+02 -0.172905D+02 -0.206123D+01
      6  -0.909416D+00 -0.365295D+00 -0.629169D+01 -0.895000D+01 -0.721916D+01
                16            17            18            19            20 
      1   0.569548D+01  0.580788D+01 -0.597241D+01 -0.354597D+01 -0.330009D+01
      2  -0.968668D+01 -0.528196D+01  0.733419D+01  0.513296D+00  0.445150D+00
      3   0.399120D+01 -0.525920D+00 -0.136178D+01  0.303267D+01  0.285494D+01
      4   0.978453D+01 -0.137013D+02 -0.786373D+01  0.340120D+00 -0.221536D+01
      5  -0.289507D+02 -0.761633D+01  0.551819D+01  0.134465D+01  0.197353D+01
      6  -0.553185D+01 -0.736191D+01  0.113416D+01 -0.816765D+00 -0.244164D+01
                21            22            23            24            25 
      1   0.100401D+02 -0.132613D+01 -0.446853D+01  0.419861D+01  0.682301D+01
      2   0.324516D+00  0.481332D-01  0.200566D+01 -0.982425D+00 -0.243609D+01
      3  -0.103646D+02  0.127800D+01  0.246287D+01 -0.321618D+01 -0.438692D+01
      4   0.117119D+01  0.193768D+01 -0.384690D+01  0.315065D+01 -0.209668D+01
      5  -0.552092D+01 -0.445162D+00  0.300323D+01 -0.463741D+01  0.290132D+01
      6   0.440455D+01 -0.103394D+00 -0.362265D+01  0.648241D+01  0.100057D+01
                26            27            28            29            30 
      1   0.573732D+01 -0.193555D+02  0.257789D+01  0.331435D+01  0.245622D+01
      2   0.355550D+00 -0.607776D+01  0.912994D+00 -0.484144D+00 -0.537178D+00
      3  -0.609287D+01  0.254332D+02 -0.349088D+01 -0.283021D+01 -0.191904D+01
      4   0.427729D+01 -0.567421D+01  0.868260D+01  0.962770D+01  0.337791D+01
      5  -0.695135D+01  0.213532D+02  0.437088D+01  0.337697D+01  0.689310D+01
      6   0.624542D+01 -0.113080D+02  0.421310D+01  0.190869D+01  0.155518D+01
                31            32            33            34            35 
      1   0.187395D+01 -0.924723D+01 -0.484188D+01  0.724342D+00 -0.485869D+01
      2   0.202544D+01  0.165774D+02  0.542242D+01  0.455470D+00  0.381206D+01
      3  -0.389938D+01 -0.733014D+01 -0.580538D+00 -0.117981D+01  0.104662D+01
      4   0.128709D+02  0.261014D+02  0.101084D+02  0.443984D+01  0.999745D+01
      5   0.414034D+01  0.992629D+01  0.100615D+02  0.881315D+01  0.863162D+01
      6   0.386971D+01  0.138091D+02  0.959051D+01  0.390541D+01  0.105874D+02
                36            37            38            39            40 
      1  -0.447367D+01 -0.567742D+02 -0.136487D+02  0.759864D+01 -0.126641D+02
      2   0.790840D+00  0.241439D+02  0.791344D+01  0.539497D+00  0.690201D+01
      3   0.368283D+01  0.326303D+02  0.573523D+01 -0.813814D+01  0.576205D+01
      4   0.902290D+01 -0.171151D+02  0.829593D+01 -0.288554D+01  0.679885D+01
      5   0.957098D+01  0.106635D+02 -0.404057D+00  0.126949D+02 -0.195095D+01
      6   0.905546D+01  0.336881D+01 -0.730029D+01  0.395040D+01 -0.321511D+01
                41            42            43            44            45 
      1   0.191023D+02 -0.471025D+01 -0.444311D+01 -0.633168D+01  0.140072D+02
      2  -0.427741D+01  0.919970D+01  0.109658D+02  0.918339D+01 -0.128814D+02
      3  -0.148249D+02 -0.448945D+01 -0.652270D+01 -0.285172D+01 -0.112580D+01
      4   0.487565D+01  0.186946D+02 -0.746237D+01  0.158113D+02  0.768898D+01
      5   0.138864D+02  0.522853D+01  0.240310D+02  0.742001D+01 -0.110584D+02
      6   0.242985D+01 -0.135966D+02  0.665498D+01 -0.102690D+02 -0.275153D+01
                46            47            48            49            50 
      1  -0.173492D+02 -0.209927D+01 -0.267850D+01  0.523863D+01 -0.113029D+02
      2   0.392804D+01  0.101424D+01 -0.542414D+00 -0.632997D+01  0.155873D+02
      3   0.134212D+02  0.108504D+01  0.322091D+01  0.109135D+01 -0.428445D+01
      4   0.255382D+01  0.401027D+01 -0.847872D+00 -0.125987D+02 -0.238456D+01
      5  -0.675991D+01 -0.137004D+01  0.232442D+01 -0.408878D+01  0.774238D+00
      6  -0.330868D+01  0.879030D+00  0.829161D+00 -0.383905D+01  0.571736D+01
                51            52            53            54            55 
      1  -0.125341D+01 -0.603571D+01 -0.232144D+01 -0.879535D+01  0.876104D+02
      2   0.641370D+01 -0.627001D+00  0.447667D+01 -0.386382D+01 -0.439242D+02
      3  -0.516029D+01  0.666271D+01 -0.215523D+01  0.126592D+02 -0.436862D+02
      4   0.590462D+00 -0.496844D+01  0.152271D+01  0.104949D+01  0.207683D+02
      5   0.550734D+00  0.452089D+01  0.100330D+01 -0.734068D+00 -0.270404D+02
      6  -0.198887D+01  0.528881D+00  0.528394D+01 -0.255856D+01 -0.388598D+01
                56            57            58            59            60 
      1   0.893145D+01 -0.467190D+01  0.742717D+01  0.651661D+01  0.452284D+00
      2  -0.287202D+01  0.581397D+01 -0.168749D+01 -0.247597D+01 -0.400808D+00
      3  -0.605942D+01 -0.114207D+01 -0.573967D+01 -0.404063D+01 -0.514763D-01
      4   0.124238D+02 -0.181479D+01  0.145519D+02  0.518976D+01 -0.287017D+01
      5  -0.321799D+01  0.134817D+02 -0.257622D+01 -0.410296D+01  0.153490D+01
      6  -0.288006D+01  0.208254D+01 -0.277722D+01 -0.139772D+01  0.310445D+01
                61            62            63            64            65 
      1   0.599276D+01  0.130491D+01  0.595685D+01  0.406668D+01 -0.276037D+01
      2  -0.489373D+00 -0.503567D+00 -0.357672D+01 -0.272845D+01  0.134867D+01
      3  -0.550338D+01 -0.801339D+00 -0.238012D+01 -0.133823D+01  0.141170D+01
      4   0.188654D+01 -0.551535D+00  0.157110D+01 -0.198415D+01 -0.337750D+00
      5   0.878250D+01  0.729385D+00 -0.567459D+00 -0.237782D+01  0.210919D+01
      6   0.125207D+01  0.211705D+01  0.292856D-01  0.249374D+01  0.177447D+01
                66            67            68            69            70 
      1  -0.500142D+01 -0.601216D+01 -0.885078D+01 -0.533258D+01 -0.308091D+01
      2   0.526588D+00  0.433129D+01  0.172501D+01 -0.523537D+01  0.233614D+01
      3   0.447483D+01  0.168087D+01  0.712577D+01  0.105679D+02  0.744773D+00
      4   0.523836D+00  0.253638D+01 -0.186598D+02 -0.118704D+02  0.190948D+01
      5  -0.311198D+00  0.762716D+01 -0.980254D+01 -0.135632D+02  0.409153D+01
      6  -0.743358D-01 -0.305469D+00  0.133821D+02  0.105776D+02 -0.957484D+00
                71            72            73            74            75 
      1  -0.433332D+01 -0.104029D+02 -0.120508D+01  0.884964D+01 -0.756548D+01
      2  -0.424353D+01 -0.564169D+01  0.129342D+01 -0.562034D+01  0.138366D+01
      3   0.857685D+01  0.160446D+02 -0.883473D-01 -0.322930D+01  0.618182D+01
      4  -0.100302D+02 -0.881150D+01  0.237974D+01 -0.195226D+01  0.913156D+00
      5  -0.746970D+01 -0.131344D+02  0.163993D+00 -0.897845D+00 -0.191676D+01
      6   0.979322D+01  0.819752D+01 -0.401045D+01  0.547373D+01 -0.463616D+01
                76            77            78            79            80 
      1   0.827378D+01 -0.182532D+02  0.116851D+02 -0.310750D+01  0.976071D+01
      2  -0.485868D+01  0.145148D+02 -0.431593D+01  0.517914D+00 -0.269588D+01
      3  -0.341511D+01  0.373837D+01 -0.736918D+01  0.258958D+01 -0.706483D+01
      4   0.292596D+01  0.158334D+02 -0.107998D+02 -0.723158D+00 -0.847984D+01
      5  -0.453954D+01 -0.793975D+01  0.812292D+01  0.189414D+01  0.575137D+01
      6   0.115501D+01 -0.177819D+02  0.148661D+02 -0.120631D+01  0.129062D+02
                81            82            83            84            85 
      1  -0.150110D+02 -0.113211D+01  0.165889D+02  0.420472D+01 -0.553773D+01
      2   0.985788D+00  0.134203D+00 -0.123913D+02 -0.267264D+00  0.141795D+02
      3   0.140252D+02  0.997909D+00 -0.419754D+01 -0.393746D+01 -0.864176D+01
      4   0.642111D+01  0.126015D+02 -0.101453D+02 -0.216667D+00  0.449631D+01
      5  -0.905238D+01  0.315194D+01 -0.694104D+00 -0.244373D+01  0.266400D+01
      6  -0.124376D+02  0.238772D+01 -0.165232D+01 -0.467989D+01  0.794129D+01
                86            87            88            89            90 
      1   0.346261D+01  0.466207D+01 -0.169857D+01  0.635678D+01 -0.134707D+02
      2  -0.620281D+01 -0.309923D+01  0.657512D+01 -0.797714D+01  0.177412D+01
      3   0.274020D+01 -0.156284D+01 -0.487655D+01  0.162036D+01  0.116966D+02
      4   0.144292D+02  0.260406D+01  0.311176D+01  0.134904D+01  0.327146D+01
      5   0.267154D+01  0.140708D+00  0.305482D+01  0.182208D+01 -0.118286D+01
      6  -0.548522D+01  0.503198D+01 -0.381337D+01  0.113840D+02 -0.122050D+01
                91            92            93            94            95 
      1   0.100284D+02 -0.215353D+02 -0.257598D+01  0.194711D+02  0.123629D+02
      2  -0.100452D+02  0.147899D+02  0.733157D+00 -0.168911D+02 -0.161078D+02
      3   0.168216D-01  0.674541D+01  0.184282D+01 -0.258003D+01  0.374489D+01
      4  -0.158443D+02 -0.688599D+01 -0.378186D+01  0.984225D+01 -0.459547D+01
      5  -0.519152D+01 -0.248529D+01 -0.555999D+00  0.215691D-01 -0.632629D+01
      6  -0.466155D+01 -0.118904D+01  0.360974D+01 -0.438973D+01 -0.101605D+02
                96            97            98            99           100 
      1   0.354224D+01  0.386474D+01  0.691933D+00 -0.497305D+01 -0.153131D+02
      2  -0.575328D+01 -0.680850D+01 -0.827224D+01 -0.507396D+01  0.103875D+02
      3   0.221105D+01  0.294376D+01  0.758031D+01  0.100470D+02  0.492560D+01
      4  -0.570961D+01 -0.358380D+01 -0.962077D+01  0.121076D+02 -0.269468D+01
      5   0.801874D+01  0.113023D+02  0.128558D+02  0.841407D+01 -0.427487D+01
      6   0.355745D+01  0.549008D+01  0.128392D+02  0.327146D+01  0.114181D+01
               101           102           103           104           105 
      1  -0.335849D+01 -0.482310D+01  0.967737D+01 -0.219570D+02 -0.729232D+01
      2   0.247182D+01  0.226797D+01 -0.813781D+01  0.191358D+02  0.865710D+01
      3   0.886668D+00  0.255513D+01 -0.153957D+01  0.282118D+01 -0.136478D+01
      4   0.208142D+02  0.776964D+00 -0.184021D+02 -0.386954D+01 -0.344280D+01
      5   0.472960D+00  0.143604D+02 -0.113971D+02 -0.126475D+01  0.120213D+01
      6   0.468742D+00  0.176900D+01 -0.311520D+01  0.357236D+01 -0.172667D+01
               106           107           108           109           110 
      1  -0.348772D+01 -0.837183D+01  0.122907D+02 -0.194386D+01  0.233847D+02
      2  -0.501247D+00  0.630937D+01 -0.154588D+02 -0.206179D+01 -0.152170D+02
      3   0.398896D+01  0.206247D+01  0.316812D+01  0.400565D+01 -0.816767D+01
      4  -0.118829D+02 -0.122784D+01  0.215567D+01  0.172758D+02  0.198628D+01
      5   0.327528D+02  0.315219D+01  0.426723D+01  0.545695D+00  0.342713D+00
      6   0.150908D+01  0.499835D+01 -0.401482D+01  0.731679D+00 -0.202351D+01
               111           112           113           114           115 
      1   0.499663D+01 -0.250123D+02  0.528255D+01  0.752081D+00 -0.739152D+01
      2  -0.757540D+00  0.233870D+02 -0.890563D+01 -0.114592D+01  0.932830D+01
      3  -0.423909D+01  0.162528D+01  0.362307D+01  0.393835D+00 -0.193678D+01
      4   0.181486D+01  0.145932D+01  0.108537D+02  0.829177D+01 -0.178538D+01
      5   0.559880D+01 -0.480661D+01  0.697012D+01 -0.882035D+01  0.176634D+02
      6  -0.544390D+01  0.661380D+01 -0.576135D+01  0.330190D+01 -0.624590D+01
               116           117           118           119           120 
      1   0.431088D+01  0.217683D+01  0.119527D+02 -0.118906D+02 -0.458594D+00
      2  -0.741654D+01 -0.833009D+01 -0.797304D+01  0.973359D+01  0.299360D+00
      3   0.310566D+01  0.615326D+01 -0.397968D+01  0.215702D+01  0.159235D+00
      4   0.883949D+01 -0.130205D+02 -0.898274D+01 -0.172399D+02 -0.299368D+01
      5  -0.136060D+02 -0.694085D+01  0.245960D+00 -0.193531D+01 -0.448509D+01
      6   0.109064D+02 -0.778190D+00 -0.203591D+01 -0.954393D+00  0.341025D+01
               121           122           123           124           125 
      1  -0.537724D+00  0.103409D+02  0.499819D+01  0.224115D+01  0.394531D+01
      2  -0.822897D+01 -0.136672D+02 -0.725665D+01 -0.445874D+01 -0.102380D+02
      3   0.876670D+01  0.332637D+01  0.225846D+01  0.221760D+01  0.629274D+01
      4   0.112807D+02 -0.125758D+02 -0.142824D+01 -0.472236D+00 -0.281589D+01
      5  -0.554887D+00 -0.197150D+01 -0.114609D+01  0.356707D+01 -0.505381D+01
      6  -0.474414D+01 -0.101131D+02  0.334443D+01  0.154879D+01  0.128012D+02
               126           127           128           129           130 
      1  -0.145279D+02 -0.505756D+01  0.741246D+01  0.708626D+00  0.801365D+01
      2  -0.127420D+00  0.693280D+01 -0.104802D+02 -0.632149D+00 -0.110413D+02
      3   0.146553D+02 -0.187524D+01  0.306773D+01 -0.764764D-01  0.302761D+01
      4  -0.658859D+01 -0.869402D+01  0.855996D+01  0.102533D+01  0.820863D+01
      5  -0.440223D+01 -0.123496D+01  0.986821D+00  0.176417D+01  0.106132D+01
      6   0.364666D+01  0.876445D+00 -0.116189D+01 -0.265080D+01 -0.222593D+01
               131           132           133           134           135 
      1  -0.203529D+02 -0.328405D+01  0.138332D+01 -0.363350D+01 -0.105130D+01
      2   0.275501D+02  0.259367D+01 -0.175301D+01  0.405078D+01  0.175118D+01
      3  -0.719713D+01  0.690372D+00  0.369694D+00 -0.417277D+00 -0.699886D+00
      4  -0.877556D+01 -0.861860D+00  0.120264D+01 -0.997303D+00 -0.204320D+01
      5  -0.120467D+01 -0.123847D+01  0.110738D+01 -0.795065D+00 -0.897592D+00
      6   0.425903D+01  0.522036D+01 -0.108422D+01  0.254365D+01  0.155415D+01
               136           137           138           139           140 
      1   0.552163D+01  0.487760D+01  0.966424D+00 -0.881949D+00 -0.155607D+02
      2   0.315404D+01  0.480218D+01  0.223844D+00  0.109025D+02  0.368488D+02
      3  -0.867567D+01 -0.967978D+01 -0.119027D+01 -0.100205D+02 -0.212881D+02
      4   0.185510D+02  0.227573D+02  0.481041D+01  0.234384D+02  0.458354D+02
      5   0.430099D+01  0.484759D+01  0.457688D+01  0.500635D+01  0.890874D+01
      6   0.318553D+01  0.368386D+01  0.301746D+01  0.493763D+01  0.121854D+02
               141           142           143           144           145 
      1  -0.340806D+01  0.979916D-01 -0.299186D+01 -0.219636D+01  0.993242D+02
      2   0.496064D+01  0.183018D+01  0.662791D+01  0.322068D+01 -0.560564D+02
      3  -0.155259D+01 -0.192817D+01 -0.363605D+01 -0.102432D+01 -0.432677D+02
      4   0.896372D+01  0.574717D+01  0.107553D+02  0.444078D+01  0.129557D+02
      5   0.650671D+01  0.233975D+01  0.372443D+01  0.274428D+01  0.973087D+01
      6   0.903349D+01  0.248100D+01  0.573881D+01  0.375652D+01 -0.192391D+01
               146           147           148           149           150 
      1   0.872511D+01  0.609411D+01  0.678673D+01  0.966759D+01  0.156606D+01
      2  -0.430854D+01 -0.422654D+01 -0.291353D+01 -0.439356D+01 -0.124466D+01
      3  -0.441657D+01 -0.186756D+01 -0.387320D+01 -0.527403D+01 -0.321401D+00
      4   0.961546D+01  0.459297D+00  0.155000D+02  0.418915D+01  0.132549D+01
      5   0.495756D+00  0.112154D+02  0.319534D+01  0.150687D+01  0.142526D+01
      6   0.260880D+00  0.596501D+00  0.820242D+00 -0.316308D-01  0.146469D+01
               151           152           153           154           155 
      1   0.716066D+01  0.183001D+01  0.462171D+01  0.214269D+02 -0.134563D+02
      2  -0.414512D+01 -0.999957D+00 -0.290453D+01 -0.376402D+01 -0.113323D+01
      3  -0.301554D+01 -0.830051D+00 -0.171718D+01 -0.176629D+02  0.145896D+02
      4   0.355034D+01  0.141144D+01  0.878392D+00 -0.325581D+02  0.298669D+02
      5   0.472670D+01  0.553829D+00  0.168966D+01 -0.547795D+01  0.380664D+01
      6   0.213899D+00  0.705994D+00  0.298653D+00  0.203336D+01 -0.165227D+01
               156           157           158           159           160 
      1  -0.236902D+01 -0.868714D+01  0.294450D+01  0.707007D+00 -0.817512D+00
      2   0.945323D+00 -0.636217D+01  0.170757D+02  0.728742D+00 -0.102510D+01
      3   0.142370D+01  0.150493D+02 -0.200202D+02 -0.143575D+01  0.184261D+01
      4   0.380953D+01  0.328011D+02 -0.435921D+02 -0.644389D+01  0.535357D+01
      5   0.609485D+01  0.581201D+01 -0.669449D+01 -0.634387D+01  0.284704D+01
      6  -0.332731D+01 -0.357091D+01  0.500954D+01  0.601620D+01 -0.224737D+01
               161           162           163           164           165 
      1   0.466111D-01 -0.122368D-01 -0.542181D+01 -0.858676D+01 -0.252385D+01
      2   0.236781D+01  0.129881D+01  0.664309D+01  0.101630D+02  0.169649D+01
      3  -0.241442D+01 -0.128657D+01 -0.122127D+01 -0.157629D+01  0.827359D+00
      4  -0.699623D+01 -0.397613D+01  0.370879D+01  0.729906D+01  0.140904D+01
      5  -0.323838D+01 -0.178821D+01  0.963535D+00  0.125581D+01  0.141820D+01
      6   0.340196D+01  0.202803D+01  0.245218D+01  0.342206D+01  0.262351D+01
               166           167           168           169           170 
      1  -0.757317D+01 -0.321078D+02 -0.780354D+01 -0.220189D+01 -0.793075D+01
      2   0.935155D+01  0.422370D+02  0.708303D+01  0.237529D+01  0.896319D+01
      3  -0.177838D+01 -0.101292D+02  0.720514D+00 -0.173399D+00 -0.103244D+01
      4   0.520216D+01 -0.663807D+00 -0.639618D+00  0.138797D+01 -0.129785D+00
      5   0.987976D+00 -0.651662D+00 -0.279026D+00  0.774767D+00  0.571356D+00
      6   0.291066D+01  0.122543D+02  0.878867D+01  0.131170D+01  0.528734D+01
               171 
      1  -0.362035D+01
      2   0.393344D+01
      3  -0.313088D+00
      4   0.145655D+01
      5   0.602561D+00
      6   0.371103D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.430597D+00      0.109447D+01      0.365076D+01
   y         -0.282856D+00     -0.718948D+00     -0.239815D+01
   z         -0.167596D+00     -0.425986D+00     -0.142094D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.119741D+03      0.177437D+02      0.197426D+02
   yx         0.978013D+00      0.144927D+00      0.161253D+00
   yy         0.974025D+02      0.144336D+02      0.160595D+02
   zx         0.390203D+00      0.578222D-01      0.643358D-01
   zy         0.510433D+01      0.756383D+00      0.841590D+00
   zz         0.674325D+02      0.999246D+01      0.111181D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100207D+03      0.148491D+02      0.165219D+02
   aniso      0.472914D+02      0.700786D+01      0.779729D+01
   xx         0.125803D+03      0.186420D+02      0.207420D+02
   yx         0.823309D+00      0.122002D+00      0.135745D+00
   yy         0.102448D+03      0.151813D+02      0.168914D+02
   zx         0.617271D+00      0.914701D-01      0.101774D+00
   zy         0.518544D+01      0.768403D+00      0.854964D+00
   zz         0.723694D+02      0.107240D+02      0.119321D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.12982941         -0.62820153         -3.65767643
     6         -2.17234194          1.27559950         -1.99743722
     1         -3.87341185         -1.94798094         -2.64643554
     1         -3.75430812          2.21636858         -1.04102173
     6         -0.82607496          3.19883798         -3.65722918
     6         -0.44402530          0.18873548          0.00613316
     1         -2.12656188          3.94558091         -5.07078125
     1          0.76199081          2.30833506         -4.62398569
     1         -0.10870316          4.75625079         -2.51476853
     6          1.28484939         -1.70755937         -0.59546326
     6          2.91321040         -2.65401771          1.23176328
     6          2.84193646         -1.71084278          3.68423608
     6          1.12418060          0.17700041          4.29975684
     6         -0.51064626          1.11312418          2.46900096
     1          1.33080332         -2.44596170         -2.50217498
     1          4.24389039         -4.12896869          0.74204661
     1          4.11085719         -2.45046137          5.10768329
     1          1.04685552          0.91204869          6.20734132
     1         -1.85932682          2.57513253          2.95893918

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541766D+00      0.137703D+01      0.459328D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.876665D+02      0.129908D+02      0.144543D+02
   yx        -0.189601D+02     -0.280960D+01     -0.312610D+01
   yy         0.876181D+02      0.129837D+02      0.144463D+02
   zx         0.141049D+02      0.209014D+01      0.232559D+01
   zy        -0.118088D+01     -0.174988D+00     -0.194700D+00
   zz         0.109291D+03      0.161952D+02      0.180196D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100207D+03      0.148491D+02      0.165219D+02
   aniso      0.472914D+02      0.700786D+01      0.779729D+01
   xx         0.930926D+02      0.137949D+02      0.153489D+02
   yx        -0.191265D+02     -0.283425D+01     -0.315353D+01
   yy         0.925165D+02      0.137095D+02      0.152539D+02
   zx         0.146180D+02      0.216616D+01      0.241018D+01
   zy        -0.123323D+01     -0.182746D+00     -0.203332D+00
   zz         0.115011D+03      0.170429D+02      0.189628D+02

 ----------------------------------------------------------------------
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 \\\@


 TOM, TOM, THE BURGLAR'S SON
 STOLE A MACHINE AND AWAY HE RUN
 THE JOB WAS NEAT, BUT TOM GOT BEAT
 BY THE TIME HE GOT HOME IT WAS OBSOLETE.
 Job cpu time:       0 days  2 hours 14 minutes 41.7 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 53.7 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:00:53 2021.
